Geometry & MOs

Info

ID:	95578
PubChem CID:	50010475
Reduced:	O4N5C32H43 (1)
Stoich.:	A4B5C32D43 (1)
Weight, g/mol:	482.269319
ΔH_f, kcal/mol:	-168.97
Dipole, Da:	7.1
IP(EA), eV:	-9.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4CCCC4

DOS

IR

Vibrations