Geometry & MOs

Info

ID:	302648
PubChem CID:	124391310
Reduced:	ClN2O2H9C15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	283.112777
ΔH_f, kcal/mol:	80.1
Dipole, Da:	5.13
IP(EA), eV:	-9.91(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7R,13S,17R)-10-chloro-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])/C(=C\C2=CC=C(C=C2)Cl)/C#N

DOS

IR

Vibrations