Geometry & MOs

Info

ID:	281777
PubChem CID:	103914350
Reduced:	O2N4C17H32 (1)
Stoich.:	A2B4C17D32 (1)
Weight, g/mol:	276.187149
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	3.82
IP(EA), eV:	-8.86(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N-(2-methylsulfonylcyclopentyl)-N'-propylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(CC)(CNC(C)C1=NC=CN1C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations