Geometry & MOs

Info

ID:	122361
PubChem CID:	50803698
Reduced:	SO3N6C26H28 (1)
Stoich.:	AB3C6D26E28 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-13.52
Dipole, Da:	6.64
IP(EA), eV:	-8.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC=CC=C5OC

DOS

IR

Vibrations