Geometry & MOs

Info

ID:	112285
PubChem CID:	50400414
Reduced:	ClO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	494.289306
ΔH_f, kcal/mol:	-120.9
Dipole, Da:	4.61
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations