Geometry & MOs

Info

ID:	291950
PubChem CID:	113906773
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	295.03202
ΔH_f, kcal/mol:	-57.28
Dipole, Da:	2.49
IP(EA), eV:	-8.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-3-(1-methyltriazol-4-yl)propan-1-ol

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)NC(=O)CC2(CC2)CS

DOS

IR

Vibrations