Geometry & MOs

Info

ID:	253022
PubChem CID:	103115542
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	5.93
IP(EA), eV:	-9.83(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-3-methylbutyl)-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OCCN1C(=C(N=N1)C(=O)O)C2=CN=CN2C

DOS

IR

Vibrations