Geometry & MOs

Info

ID:	271762
PubChem CID:	103691121
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	311.092436
ΔH_f, kcal/mol:	-132.63
Dipole, Da:	4.5
IP(EA), eV:	-9.79(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[(3-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)COCC2=CC=CC=C2

DOS

IR

Vibrations