Geometry & MOs

Info

ID:	248005
PubChem CID:	103078116
Reduced:	F3N4C7H11 (1)
Stoich.:	A3B4C7D11 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	-116.97
Dipole, Da:	4.39
IP(EA), eV:	-8.24(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-(2-pyridin-3-ylethyl)pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N(C)CC(F)(F)F)N

DOS

IR

Vibrations