Geometry & MOs

Info

ID:	399913
PubChem CID:	135043761
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	177.090212
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	4.16
IP(EA), eV:	-8.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)ethanol

Drug info:

PubChemData

Smile

CC(CS(=O)C1=CC=CC=C1)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations