Geometry & MOs

Info

ID:	358692
PubChem CID:	127296482
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	384.244664
ΔH_f, kcal/mol:	-48.45
Dipole, Da:	3.31
IP(EA), eV:	-8.58(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[cyclopentyl(propan-2-yl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=CC(=NC=N2)N3CCCC(C3)CO

DOS

IR

Vibrations