Geometry & MOs

Info

ID:	360509
PubChem CID:	127301154
Reduced:	SO3N5C10H13 (1)
Stoich.:	AB3C5D10E13 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	6.99
IP(EA), eV:	-9.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclohexyl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CN2CCC(=O)NC2=O

DOS

IR

Vibrations