Geometry & MOs

Info

ID:	206607
PubChem CID:	80272592
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-16.5
Dipole, Da:	8.36
IP(EA), eV:	-8.46(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-cyanopropyl)-N,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CCNC1=C(C=CC(=C1)C)C(=O)N(C)CC(C)C#N

DOS

IR

Vibrations