Geometry & MOs

Info

ID:	94407
PubChem CID:	50000814
Reduced:	ClO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-131.62
Dipole, Da:	9.39
IP(EA), eV:	-8.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(3-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C

DOS

IR

Vibrations