Geometry & MOs

Info

ID:	253146
PubChem CID:	103116310
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	251.101839
ΔH_f, kcal/mol:	31.09
Dipole, Da:	4.58
IP(EA), eV:	-8.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxypropyl)-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N)NC(=O)C2=C3C=CC=CN3N=C2)C

DOS

IR

Vibrations