Geometry & MOs

Info

ID:	94395
PubChem CID:	50000670
Reduced:	ClFO4N5C29H37 (1)
Stoich.:	ABC4D5E29F37 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-225.16
Dipole, Da:	4.58
IP(EA), eV:	-9.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations