Geometry & MOs

Info

ID:	373237
PubChem CID:	131312059
Reduced:	SN2O3C9H10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	168.126263
ΔH_f, kcal/mol:	-72.26
Dipole, Da:	4.19
IP(EA), eV:	-9.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-3-(1-methylpyrrolidin-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1C(C#N)O

DOS

IR

Vibrations