Geometry & MOs

Info

ID:	120745
PubChem CID:	50742899
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	311.107005
ΔH_f, kcal/mol:	2.84
Dipole, Da:	4.3
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)methyl 5-methyl-1-phenyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)COC(=O)C2=C(N(N=N2)C3=CC=CC=C3)C)C

DOS

IR

Vibrations