Geometry & MOs

Info

ID:	47660
PubChem CID:	10534672
Reduced:	NO2C6H9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	127.099714
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	2.09
IP(EA), eV:	-9.58(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxyheptanenitrile

Drug info:

PubChemData

Smile

CC1=NO[C@H](C1)[C@@H]2CO2

DOS

IR

Vibrations