Geometry & MOs

Info

ID:	248053
PubChem CID:	103078560
Reduced:	NC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	74.23
Dipole, Da:	2.28
IP(EA), eV:	-8.0(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N(CC2CC2)CC3CC3)N

DOS

IR

Vibrations