Geometry & MOs

Info

ID:	377623
PubChem CID:	134223686
Reduced:	NO3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	690.267114
ΔH_f, kcal/mol:	-168.12
Dipole, Da:	3.89
IP(EA), eV:	-9.81(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC(=C)C1CCC(CC1C(=O)NC2CCOC2O)(C)C

DOS

IR

Vibrations