Geometry & MOs

Info

ID:	196648
PubChem CID:	78858148
Reduced:	N2O2F3C21H25 (1)
Stoich.:	A2B2C3D21E25 (1)
Weight, g/mol:	278.117904
ΔH_f, kcal/mol:	-217.96
Dipole, Da:	2.11
IP(EA), eV:	-8.71(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(F)(F)F)NC(C)C(=O)NCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations