Geometry & MOs

Info

ID:	435528
PubChem CID:	135191728
Reduced:	NO2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	760.345364
ΔH_f, kcal/mol:	-88.27
Dipole, Da:	2.74
IP(EA), eV:	-9.2(2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-4-[3-(4-methyl-12-phenyl-3,4-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-7-bicyclo[4.1.0]hepta-1(6),2,4-trienyl]cyclohexa-1,5-dien-1-yl]-N-phenyl-8H-benzo[7]annulen-5-amine

Drug info:

PubChemData

Smile

COC[C@H]1C(CCN1)OC

DOS

IR

Vibrations