Geometry & MOs

Info

ID:	166155
PubChem CID:	74642707
Reduced:	SN2O5C23H30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-157.83
Dipole, Da:	7.02
IP(EA), eV:	-8.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C=CC2=CC=CC=C2)OCCC

DOS

IR

Vibrations