Geometry & MOs

Info

ID:	218336
PubChem CID:	85089196
Reduced:	IO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	448.153541
ΔH_f, kcal/mol:	-53.65
Dipole, Da:	2.07
IP(EA), eV:	-8.81(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8(13),10-hexaen-6-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2(C=CI)O)CCC4=C3C=CC(=C4)O)C=C

DOS

IR

Vibrations