Geometry & MOs

Info

ID:	253130
PubChem CID:	103116232
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-24.23
Dipole, Da:	5.65
IP(EA), eV:	-9.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycyclopentyl)methyl]-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)CCN1C(=C(N=N1)C(=O)O)C2=NC=CN2C

DOS

IR

Vibrations