Geometry & MOs

Info

ID:	194899
PubChem CID:	78606024
Reduced:	ClN4O4H19C20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	369.124405
ΔH_f, kcal/mol:	-5.73
Dipole, Da:	9.07
IP(EA), eV:	-8.52(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(=CC2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C#N

DOS

IR

Vibrations