Geometry & MOs

Info

ID:	206754
PubChem CID:	80296077
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	1.32
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(2-ethyl-4-hydroxybutyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CN2CC[C@@H](C2)O

DOS

IR

Vibrations