Geometry & MOs

Info

ID:	105478
PubChem CID:	50111008
Reduced:	O4N5C31H41 (1)
Stoich.:	A4B5C31D41 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-165.05
Dipole, Da:	8.26
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[5-chloro-2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC(=C2NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N)C)C

DOS

IR

Vibrations