Geometry & MOs

Info

ID:	253103
PubChem CID:	103116062
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	4.59
IP(EA), eV:	-7.91(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=CC3=C(C=C2N)OCCO3

DOS

IR

Vibrations