Geometry & MOs

Info

ID:	2598
PubChem CID:	8011
Reduced:	NOC3H5 (1)
Stoich.:	ABC3D5 (1)
Weight, g/mol:	71.037114
ΔH_f, kcal/mol:	-23.28
Dipole, Da:	2.76
IP(EA), eV:	-11.21(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxypropanenitrile

Drug info:

PubChemData

Smile

C(CO)C#N

DOS

IR

Vibrations