Geometry & MOs

Info

ID:	93059
PubChem CID:	49991258
Reduced:	O3N4C31H42 (1)
Stoich.:	A3B4C31D42 (1)
Weight, g/mol:	550.31552
ΔH_f, kcal/mol:	-128.33
Dipole, Da:	3.33
IP(EA), eV:	-8.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations