Geometry & MOs

Info

ID:	30187
PubChem CID:	840531
Reduced:	OSN2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	11.67
Dipole, Da:	6.22
IP(EA), eV:	-8.87(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C#N

DOS

IR

Vibrations