Geometry & MOs

Info

ID:	273586
PubChem CID:	103771423
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	269.235479
ΔH_f, kcal/mol:	-96.12
Dipole, Da:	6.68
IP(EA), eV:	-9.21(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-N-(2-hydroxy-4-methylpentyl)butanamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])O

DOS

IR

Vibrations