Geometry & MOs

Info

ID:	354351
PubChem CID:	127286477
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	330.172562
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	4.09
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NC(=O)N3CCCC3CN4CCCC4

DOS

IR

Vibrations