Geometry & MOs

Info

ID:	248017
PubChem CID:	103078228
Reduced:	SN4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	239.210996
ΔH_f, kcal/mol:	47.94
Dipole, Da:	2.65
IP(EA), eV:	-7.76(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C)NC2=NN(C=C2N)C

DOS

IR

Vibrations