Geometry & MOs

Info

ID:	179114
PubChem CID:	76435036
Reduced:	FON7C20H24 (1)
Stoich.:	ABC7D20E24 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	18.67
Dipole, Da:	8.47
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

Drug info:

PubChemData

Smile

C1CN(CC(C1N2CCN(CC2)C3=CC=CC=C3F)O)C4=NC=NC5=C4NC=N5

DOS

IR

Vibrations