Geometry & MOs

Info

ID:	60764
PubChem CID:	26701971
Reduced:	FN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	458.128943
ΔH_f, kcal/mol:	-98.02
Dipole, Da:	5.46
IP(EA), eV:	-8.89(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-ethoxy-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C)F)[N+](=O)[O-]

DOS

IR

Vibrations