Geometry & MOs

Info

ID:	248032
PubChem CID:	103078367
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	234.159295
ΔH_f, kcal/mol:	34.87
Dipole, Da:	1.63
IP(EA), eV:	-8.0(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N(C)C2=CC=C(C=C2)OC)N

DOS

IR

Vibrations