Geometry & MOs

Info

ID:	110706
PubChem CID:	50336961
Reduced:	O4N5C33H45 (1)
Stoich.:	A4B5C33D45 (1)
Weight, g/mol:	516.253669
ΔH_f, kcal/mol:	-171.12
Dipole, Da:	10.92
IP(EA), eV:	-8.78(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations