Geometry & MOs

Info

ID:	48310
PubChem CID:	10538804
Reduced:	NO6C11H11 (1)
Stoich.:	AB6C11D11 (1)
Weight, g/mol:	253.10605
ΔH_f, kcal/mol:	-152.54
Dipole, Da:	3.03
IP(EA), eV:	-10.78(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R,8S)-6-deuterio-8-hydroxy-9,10-dimethoxy-7-methylidene-2-oxatricyclo[6.3.0.01,5]undec-9-en-11-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C(=O)OC)C(=O)OC

DOS

IR

Vibrations