Geometry & MOs

Info

ID:	203094
PubChem CID:	79777847
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	-58.56
Dipole, Da:	3.53
IP(EA), eV:	-10.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)-5-propyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CN2CCC(=O)NC2=O

DOS

IR

Vibrations