Geometry & MOs

Info

ID:	188320
PubChem CID:	77699966
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	119.073499
ΔH_f, kcal/mol:	14.17
Dipole, Da:	11.52
IP(EA), eV:	-8.89(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-azatricyclo[4.2.1.02,5]nona-2,4-diene

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=C3C(=C)N=NC(=O)C3=C2C)C

DOS

IR

Vibrations