Geometry & MOs

Info

ID:	10353
PubChem CID:	100890
Reduced:	NOC7H13 (1)
Stoich.:	ABC7D13 (1)
Weight, g/mol:	127.099714
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	3.88
IP(EA), eV:	-10.14(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpropoxy)propanenitrile

Drug info:

PubChemData

Smile

CC(C)COCCC#N

DOS

IR

Vibrations