Geometry & MOs

Info

ID:	292035
PubChem CID:	114148253
Reduced:	BrNS2O4C10H20 (1)
Stoich.:	ABC2D4E10F20 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-196.35
Dipole, Da:	7.3
IP(EA), eV:	-10.56(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[(3-hydroxycyclohexyl)methyl]pentanamide

Drug info:

PubChemData

Smile

CC(CCCNS(=O)(=O)C1CCS(=O)(=O)CC1)Br

DOS

IR

Vibrations