Geometry & MOs

Info

ID:	113185
PubChem CID:	50434023
Reduced:	FO4N5C33H38 (1)
Stoich.:	AB4C5D33E38 (1)
Weight, g/mol:	583.315855
ΔH_f, kcal/mol:	-169.72
Dipole, Da:	3.56
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)C

DOS

IR

Vibrations