Geometry & MOs

Info

ID:	394024
PubChem CID:	135022180
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	3.18
IP(EA), eV:	-8.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[(2R,3aR,5R,6aS)-5-methoxy-3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-2-diazonio-3-methoxy-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2COCC3=CC(=C(C=C32)OC)OC

DOS

IR

Vibrations