Geometry & MOs

Info

ID:	31944
PubChem CID:	3724297
Reduced:	FO2N3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	435.054132
ΔH_f, kcal/mol:	-84.2
Dipole, Da:	9.97
IP(EA), eV:	-8.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[(3,4-dichlorophenyl)iminomethyl]-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=N3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations