Geometry & MOs

Info

ID:

329514

PubChem CID:

126737738

Reduced:

NO5C16H23 (1)

Stoich.:

AB5C16D23 (1)

Weight, g/mol:

637.251798

ΔHf, kcal/mol:

-224.24

Dipole, Da:

1.13

IP(EA), eV:

 -9.02(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19,19-dimethyl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOC1=CC=CC=C1CC(=O)OC

DOS

IR

Vibrations