Geometry & MOs

Info

ID:	93060
PubChem CID:	49991259
Reduced:	N4O5C31H42 (1)
Stoich.:	A4B5C31D42 (1)
Weight, g/mol:	504.310041
ΔH_f, kcal/mol:	-200.3
Dipole, Da:	6.39
IP(EA), eV:	-8.57(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(3-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations