Geometry & MOs

Info

ID:	426217
PubChem CID:	135142692
Reduced:	ON7H23C25 (1)
Stoich.:	AB7C23D25 (1)
Weight, g/mol:	273.101445
ΔH_f, kcal/mol:	86.69
Dipole, Da:	8.08
IP(EA), eV:	-9.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-ylmethyl)benzonitrile

Drug info:

PubChemData

Smile

C1CC(CCC1CC#N)N2C(=NC3=CN=C4C(=C32)C=CN4)CC(=O)NC5=CC=C(C=C5)C#N

DOS

IR

Vibrations