Geometry & MOs

Info

ID:	29095
PubChem CID:	831592
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-11.23
Dipole, Da:	3.54
IP(EA), eV:	-9.43(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)NC(=O)CC#N

DOS

IR

Vibrations