Geometry & MOs

Info

ID:	380770
PubChem CID:	134971322
Reduced:	NO10C31H45 (1)
Stoich.:	AB10C31D45 (1)
Weight, g/mol:	171.053158
ΔH_f, kcal/mol:	-468.51
Dipole, Da:	4.19
IP(EA), eV:	-9.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-nitro-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol

Drug info:

PubChemData

Smile

CCCCCCCC(=O)CCCCCC/C=C/[C@@H](C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations