Geometry & MOs

Info

ID:	214301
PubChem CID:	84974997
Reduced:	ClON4C20H27 (1)
Stoich.:	ABC4D20E27 (1)
Weight, g/mol:	390.175499
ΔH_f, kcal/mol:	1.3
Dipole, Da:	2.72
IP(EA), eV:	-8.07(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NCC2=CC=C(C=C2)N(C)C)Cl)CC(C)C

DOS

IR

Vibrations