Geometry & MOs

Info

ID:

433733

PubChem CID:

135173873

Reduced:

ON2C12H20 (1)

Stoich.:

AB2C12D20 (1)

Weight, g/mol:

641.257946

ΔHf, kcal/mol:

-38.77

Dipole, Da:

1.74

IP(EA), eV:

-9.0(0.21)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(1E,3E)-2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)penta-1,3-dienyl]methanimine

Drug info:

PubChemData

Smile

CCC1=CC(=NC=C1)O[C@@H](C)CNCC

DOS

IR

Vibrations