Geometry & MOs

Info

ID:	140657
PubChem CID:	52737978
Reduced:	ClN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	364.283826
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	4.04
IP(EA), eV:	-8.97(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NCC3(CCOCC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations