Geometry & MOs

Info

ID:	419164
PubChem CID:	135107665
Reduced:	FN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-109.23
Dipole, Da:	5.51
IP(EA), eV:	-9.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4,6-dimethylpyridin-2-yl)methyl-methylamino]methyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN2C[C@@H]3COC[C@H](C2)NC3=O)F

DOS

IR

Vibrations