Geometry & MOs

Info

ID:	95579
PubChem CID:	50010477
Reduced:	FO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	601.306433
ΔH_f, kcal/mol:	-157.81
Dipole, Da:	2.55
IP(EA), eV:	-8.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations