Geometry & MOs

Info

ID:	57774
PubChem CID:	24277270
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-65.99
Dipole, Da:	7.69
IP(EA), eV:	-9.8(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-butyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NC(=O)C3=C(N2)CCCC3)C(=O)O

DOS

IR

Vibrations