Geometry & MOs

Info

ID:	288494
PubChem CID:	104317723
Reduced:	SN2O3C10H22 (1)
Stoich.:	AB2C3D10E22 (1)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	-137.83
Dipole, Da:	5.51
IP(EA), eV:	-8.5(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl(3-hydroxybutyl)amino]propanenitrile

Drug info:

PubChemData

Smile

CC(C1CNCCO1)N(C)CCS(=O)(=O)C

DOS

IR

Vibrations