Geometry & MOs

Info

ID:	258747
PubChem CID:	103156750
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	213.147727
ΔH_f, kcal/mol:	-82.02
Dipole, Da:	1.87
IP(EA), eV:	-9.06(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-cyano-2-methylpropyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

CCNCC1=NC=C(C=C1)OCC(CC2CCCC2)O

DOS

IR

Vibrations