Geometry & MOs

Info

ID:	197054
PubChem CID:	78914570
Reduced:	FON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-11.06
Dipole, Da:	3.77
IP(EA), eV:	-8.93(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl(2-hydroxyethyl)amino]-N-(cyclopenten-1-yl)-N-ethylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCC2=NC3=CC=CC=C3N2)F

DOS

IR

Vibrations