Geometry & MOs

Info

ID:	69302
PubChem CID:	46530625
Reduced:	Cl2N2O4H24C25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	404.154764
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	2.87
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations