Geometry & MOs

Info

ID:	245423
PubChem CID:	99444560
Reduced:	SN2O2C20H28 (1)
Stoich.:	AB2C2D20E28 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	6.93
IP(EA), eV:	-8.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopropyl-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(C2CCCCC2)C3CC3

DOS

IR

Vibrations