Geometry & MOs

Info

ID:	320525
PubChem CID:	126661579
Reduced:	OSN2C24H28 (1)
Stoich.:	ABC2D24E28 (1)
Weight, g/mol:	357.184112
ΔH_f, kcal/mol:	17.07
Dipole, Da:	2.96
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexa-1,3-dien-1-yl-N-(2-pyrrolidin-1-ylphenyl)-3-azabicyclo[4.1.0]hepta-1(7),2,4-triene-4-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\SC(=C)C1=CC=CC=C1)/C(=O)NC2=CC=CC=C2C3CCCNCC3

DOS

IR

Vibrations