Geometry & MOs

Info

ID:	248028
PubChem CID:	103078312
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	2.49
Dipole, Da:	3.8
IP(EA), eV:	-8.09(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-(4-phenylbutan-2-yl)pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCOC3C2CCC3)N

DOS

IR

Vibrations