Geometry & MOs

Info

ID:	248041
PubChem CID:	103078472
Reduced:	ON5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	230.153147
ΔH_f, kcal/mol:	-2.19
Dipole, Da:	6.26
IP(EA), eV:	-8.35(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCC(=O)NCC2)N

DOS

IR

Vibrations