Geometry & MOs

Info

ID:	194898
PubChem CID:	78606023
Reduced:	FCl2N2O2H13C18 (1)
Stoich.:	AB2C2D2E13F18 (1)
Weight, g/mol:	414.109483
ΔH_f, kcal/mol:	-55.8
Dipole, Da:	3.15
IP(EA), eV:	-8.6(-1.2)
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)-3-nitrophenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(=CC2=C(C=CC=C2Cl)F)C#N

DOS

IR

Vibrations