Geometry & MOs

Info

ID:	255864
PubChem CID:	103135252
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	2.07
IP(EA), eV:	-9.55(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyloxolan-2-yl)methyl]pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

DOS

IR

Vibrations