Geometry & MOs

Info

ID:	175670
PubChem CID:	75933920
Reduced:	N3O4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	343.159515
ΔH_f, kcal/mol:	-145.04
Dipole, Da:	4.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755343
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(CC[NH+](C)C)C(=O)CNC(=O)C=CC1=CC=CC=C1

DOS

IR

Vibrations