Geometry & MOs

Info

ID:	110297
PubChem CID:	50319529
Reduced:	FN6O6C38H47 (1)
Stoich.:	AB6C6D38E47 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-267.86
Dipole, Da:	4.45
IP(EA), eV:	-8.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4F)C)OC

DOS

IR

Vibrations