Geometry & MOs

Info

ID:	112284
PubChem CID:	50400413
Reduced:	O5N6C39H54 (1)
Stoich.:	A5B6C39D54 (1)
Weight, g/mol:	498.239769
ΔH_f, kcal/mol:	-221.94
Dipole, Da:	7.38
IP(EA), eV:	-8.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)C)C

DOS

IR

Vibrations