Geometry & MOs

Info

ID:	253033
PubChem CID:	103115623
Reduced:	O3N7C11H11 (1)
Stoich.:	A3B7C11D11 (1)
Weight, g/mol:	295.128054
ΔH_f, kcal/mol:	30.97
Dipole, Da:	7.31
IP(EA), eV:	-9.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2C(=C(N=N2)C(=O)O)C3=CN=CN3C

DOS

IR

Vibrations