Geometry & MOs

Info

ID:	253154
PubChem CID:	103116385
Reduced:	SO2N6C12H12 (1)
Stoich.:	AB2C6D12E12 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	34.17
Dipole, Da:	5.52
IP(EA), eV:	-9.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2C(=C(N=N2)C(=O)O)C3=NC=CN3C

DOS

IR

Vibrations