Geometry & MOs

Info

ID:	345209
PubChem CID:	127268969
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-58.74
Dipole, Da:	2.24
IP(EA), eV:	-9.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-3-[(2-methylcyclohexyl)amino]propanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(CCO2)C(=O)CSCC3=NC(=NO3)C4CC4

DOS

IR

Vibrations