Geometry & MOs

Info

ID:	253611
PubChem CID:	103119557
Reduced:	O3N4H12C14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	25.42
Dipole, Da:	3.37
IP(EA), eV:	-8.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxypropyl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NOC(=C2C3=CC4=C(C=C3)OCO4)N

DOS

IR

Vibrations