Geometry & MOs

Info

ID:	271421
PubChem CID:	103676006
Reduced:	N2S2C15H26 (1)
Stoich.:	A2B2C15D26 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	1.77
IP(EA), eV:	-8.51(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC2CCCC(C2)SC

DOS

IR

Vibrations