Geometry & MOs

Info

ID:	166210
PubChem CID:	74650740
Reduced:	SO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-23.0
Dipole, Da:	4.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.989542
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(ethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=O)C2C=C(C=NC2=[N+](C1=O)C)C(=O)N3CCC4=C(C3C5=CC=CC=C5)C=CS4

DOS

IR

Vibrations