Geometry & MOs

Info

ID:	175117
PubChem CID:	75857551
Reduced:	FNO2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	350.104876
ΔH_f, kcal/mol:	-91.55
Dipole, Da:	0.21
IP(EA), eV:	-8.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-nitrophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)CC(COC3=CC=C(C=C3)F)O

DOS

IR

Vibrations