Geometry & MOs

Info

ID:	214158
PubChem CID:	81087110
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-19.98
Dipole, Da:	4.62
IP(EA), eV:	-9.39(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-benzyl-N-(cyanomethyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC(CC(=O)N(CCC#N)C1CC1)CN

DOS

IR

Vibrations