Geometry & MOs

Info

ID:	142087
PubChem CID:	52978213
Reduced:	O2N6C21H37 (1)
Stoich.:	A2B6C21D37 (1)
Weight, g/mol:	363.054132
ΔH_f, kcal/mol:	-76.76
Dipole, Da:	10.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.970134
Charge, e:	0

Chem-info

IUPAC name:

6,8-dichloro-2-(3-cyanophenyl)imino-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCN1C2=C(N=C1N/[NH+]=C(/C)\CCCC)N(C(=O)NC2=O)C

DOS

IR

Vibrations