Geometry & MOs

Info

ID:	57855
PubChem CID:	24277858
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	285.057198
ΔH_f, kcal/mol:	-27.51
Dipole, Da:	8.59
IP(EA), eV:	-9.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-thiophen-2-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)C3CCCCC3

DOS

IR

Vibrations