Geometry & MOs

Info

ID:	122103
PubChem CID:	50794406
Reduced:	N2O2C13H14 (2)
Stoich.:	A2B2C13D14 (2)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	7.08
IP(EA), eV:	-9.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2C(=O)C3=C(N=CN3CC2(C)C(=O)NCC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations