Geometry & MOs

Info

ID:	216291
PubChem CID:	85085998
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	8.85
IP(EA), eV:	-9.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethoxy)-4a-prop-2-enyl-3,4,5,6,7,8-hexahydronaphthalen-2-one

Drug info:

PubChemData

Smile

CC1=NC2=NC(=O)N(C(=O)C2N1CC(C)(C)C)C

DOS

IR

Vibrations