Geometry & MOs

Info

ID:	285961
PubChem CID:	104142020
Reduced:	ClON2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	280.134241
ΔH_f, kcal/mol:	-36.53
Dipole, Da:	1.37
IP(EA), eV:	-8.46(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(chloromethyl)-6-ethylpyridin-2-yl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)CCl)N(CCOC)C(C)C2CC2

DOS

IR

Vibrations