Geometry & MOs

Info

ID:	242231
PubChem CID:	96079702
Reduced:	FON4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	22.1
Dipole, Da:	6.17
IP(EA), eV:	-9.75(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(2-fluorophenyl)methanol

Drug info:

PubChemData

Smile

CC1=NN2C(=NN=C2[C@@H](C3=CC=CC=C3F)O)C=C1

DOS

IR

Vibrations