Geometry & MOs

Info

ID:	120743
PubChem CID:	50742897
Reduced:	N4O6C27H32 (1)
Stoich.:	A4B6C27D32 (1)
Weight, g/mol:	311.107005
ΔH_f, kcal/mol:	-199.72
Dipole, Da:	2.26
IP(EA), eV:	-8.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1C2=CC(=C(C=C2C(=O)N(C1=O)CC3=CC=C(C=C3)C(=O)NC4CC4)OC)OC

DOS

IR

Vibrations