Geometry & MOs

Info

ID:	177892
PubChem CID:	76249651
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	426.12027
ΔH_f, kcal/mol:	-39.24
Dipole, Da:	3.96
IP(EA), eV:	-8.83(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoylamino]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C21)CNC(=O)CCCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations