Geometry & MOs

Info

ID:	262801
PubChem CID:	103318474
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	224.087353
ΔH_f, kcal/mol:	58.13
Dipole, Da:	2.41
IP(EA), eV:	-8.4(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,10,12-tetraene

Drug info:

PubChemData

Smile

CC1CCN=C2N1NC3=CC=CC=C32

DOS

IR

Vibrations