Geometry & MOs

Info

ID:	124485
PubChem CID:	50884898
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	429.02258
ΔH_f, kcal/mol:	-53.65
Dipole, Da:	13.08
IP(EA), eV:	-9.34(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[(4-iodo-2-methylphenyl)iminomethyl]furan-2-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N/N=C\2/C(=C(C(=O)N(C2=O)CC(C)O)C#N)C

DOS

IR

Vibrations