Geometry & MOs

Info

ID:	281741
PubChem CID:	103914296
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	183.137162
ΔH_f, kcal/mol:	-140.23
Dipole, Da:	4.99
IP(EA), eV:	-8.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanopropylamino)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(CNC(C(C)C)C(=O)N)O)C

DOS

IR

Vibrations