Geometry & MOs

Info

ID:	311617
PubChem CID:	126595617
Reduced:	N3H35C50 (1)
Stoich.:	A3B35C50 (1)
Weight, g/mol:	338.165523
ΔH_f, kcal/mol:	245.83
Dipole, Da:	3.23
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-ethyl-3-(5-ethyl-2-fluorophenyl)triazol-4-yl]-1,2-dihydrobenzotriazole

Drug info:

PubChemData

Smile

CC(=N/C(=C\C(=C)C1=CC(=CC(=C1)C2=NC=CC3=CC=CC=C32)C4=NC=CC5=CC=CC=C54)/C6=CC=CC7=CC=CC=C76)C8=CC=CC9=CC=CC=C98

DOS

IR

Vibrations