Geometry & MOs

Info

ID:	222240
PubChem CID:	85295528
Reduced:	OC18H24 (1)
Stoich.:	AB18C24 (1)
Weight, g/mol:	257.126323
ΔH_f, kcal/mol:	-51.03
Dipole, Da:	3.1
IP(EA), eV:	-9.41(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7b-(hydroxymethyl)-2-(methoxymethoxy)-1a,2,3,3a,4,5,7,7a-octahydrooxireno[2,3-f]isoquinolin-6-one

Drug info:

PubChemData

Smile

CC1(CCCC2(C1C(=O)CC2C3=CC=CC=C3)C)C

DOS

IR

Vibrations