Geometry & MOs

Info

ID:	271768
PubChem CID:	103691197
Reduced:	NSF2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-184.9
Dipole, Da:	5.94
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)CSC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations