Geometry & MOs

Info

ID:	424236
PubChem CID:	135121864
Reduced:	BrOH17C22 (1)
Stoich.:	ABC17D22 (1)
Weight, g/mol:	309.070261
ΔH_f, kcal/mol:	26.42
Dipole, Da:	5.48
IP(EA), eV:	-9.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-chlorocyclopropyl)-2-hydroxy-3-phenylpropyl]-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C41)C

DOS

IR

Vibrations