Geometry & MOs

Info

ID:	93233
PubChem CID:	49992616
Reduced:	N4O5C31H42 (1)
Stoich.:	A4B5C31D42 (1)
Weight, g/mol:	538.271069
ΔH_f, kcal/mol:	-197.3
Dipole, Da:	6.51
IP(EA), eV:	-8.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations