Geometry & MOs

Info

ID:	253248
PubChem CID:	103117066
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	260.09094
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	6.83
IP(EA), eV:	-9.52(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(1-methylpyrazole-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

COCCCC(C(=O)O)NC(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations