Geometry & MOs

Info

ID:	392761
PubChem CID:	135017874
Reduced:	Cl2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	407.107692
ΔH_f, kcal/mol:	-12.71
Dipole, Da:	11.63
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(4-chlorophenyl)-phenylmethylidene]-N-phenyl-2-benzofuran-1-imine

Drug info:

PubChemData

Smile

CCC(C(=O)N(CC=C)CC1=CC=C(C=C1)Cl)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations