Geometry & MOs

Info

ID:	92512
PubChem CID:	49987460
Reduced:	BrO3N4C30H39 (1)
Stoich.:	AB3C4D30E39 (1)
Weight, g/mol:	520.304956
ΔH_f, kcal/mol:	-133.75
Dipole, Da:	8.26
IP(EA), eV:	-8.86(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations