Geometry & MOs

Info

ID:	29094
PubChem CID:	831563
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	-39.83
Dipole, Da:	3.17
IP(EA), eV:	-8.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CN\2CCC1C(=O)/C2=C\C3=CC=C(C=C3)O

DOS

IR

Vibrations