Geometry & MOs

Info

ID:	247970
PubChem CID:	103077818
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	-9.37
Dipole, Da:	4.11
IP(EA), eV:	-7.93(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(4-methyl-2-phenylpiperazin-1-yl)pyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCC3=CC(=C(C=C3C2)OC)OC)N

DOS

IR

Vibrations