Geometry & MOs

Info

ID:

321987

PubChem CID:

126667668

Reduced:

N2O5C13H16 (1)

Stoich.:

A2B5C13D16 (1)

Weight, g/mol:

827.449101

ΔHf, kcal/mol:

-174.47

Dipole, Da:

1.77

IP(EA), eV:

 -9.99(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-N-[5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-yl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,14,16(21),17,19,23-decaen-19-amine

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)O[C@H]2COC3C2OC[C@@H]3OC(=O)C

DOS

IR

Vibrations