Geometry & MOs

Info

ID:	430685
PubChem CID:	135170751
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	385.179027
ΔH_f, kcal/mol:	-136.5
Dipole, Da:	4.08
IP(EA), eV:	-9.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-azirin-2-yl)-1-[4-(4-quinolin-3-ylphenoxy)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)OC1C(=CC(=O)N1C)C(C)(C)C

DOS

IR

Vibrations