Geometry & MOs

Info

ID:	127689
PubChem CID:	51011453
Reduced:	N2O5H15C17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	238.054928
ΔH_f, kcal/mol:	-18.37
Dipole, Da:	6.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.091633
Charge, e:	0

Chem-info

IUPAC name:

(1R,8R)-4-chlorotetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaene

Drug info:

PubChemData

Smile

C1CC12[C@H]3C=C[C@@H]2[C@@H]([C@@H]3C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

DOS

IR

Vibrations