Geometry & MOs

Info

ID:	247993
PubChem CID:	103078002
Reduced:	ON5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	182.153147
ΔH_f, kcal/mol:	0.84
Dipole, Da:	2.47
IP(EA), eV:	-7.75(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-butan-2-yl-3-N,1-dimethylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCCN2CCOCC2)N

DOS

IR

Vibrations