Geometry & MOs

Info

ID:	248034
PubChem CID:	103078385
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	-12.15
Dipole, Da:	3.96
IP(EA), eV:	-8.04(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-[(6-methylpyridin-2-yl)methyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC(C2=CC=CC=C2)C(=O)OC)N

DOS

IR

Vibrations