Geometry & MOs

Info

ID:	113163
PubChem CID:	50433250
Reduced:	O4N5C34H41 (1)
Stoich.:	A4B5C34D41 (1)
Weight, g/mol:	587.290783
ΔH_f, kcal/mol:	-131.31
Dipole, Da:	8.32
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[(3-fluorophenyl)carbamoyl]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=CC=C3C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations