Geometry & MOs

Info

ID:	127782
PubChem CID:	51014992
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	287.111735
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	1.88
IP(EA), eV:	-8.68(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,5R)-7-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@]3(CCC[C@](O2)(O3)C)C

DOS

IR

Vibrations