Geometry & MOs

Info

ID:	407997
PubChem CID:	135080752
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	155.094629
ΔH_f, kcal/mol:	-167.25
Dipole, Da:	1.5
IP(EA), eV:	-8.54(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(cyanomethyl)pentanoate

Drug info:

PubChemData

Smile

CC(C(C(=O)[O-])NC1CCC1)C(=O)[O-]

DOS

IR

Vibrations