Geometry & MOs

Info

ID:	54949
PubChem CID:	17389580
Reduced:	ClNC17H20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-6.67
Dipole, Da:	2.47
IP(EA), eV:	-8.35(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;5-(4-propan-2-ylphenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2CC3=CC=CC=C3N2.Cl

DOS

IR

Vibrations