Geometry & MOs

Info

ID:	206743
PubChem CID:	80293911
Reduced:	OSN4C10H16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	170.141913
ΔH_f, kcal/mol:	-15.56
Dipole, Da:	9.86
IP(EA), eV:	-8.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-hydroxypentan-2-ylamino)butanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1C=CN=C1C(=S)N

DOS

IR

Vibrations