Geometry & MOs

Info

ID:	375061
PubChem CID:	131465405
Reduced:	BrClNOF3H6C8 (1)
Stoich.:	ABCDE3F6G8 (1)
Weight, g/mol:	219.148396
ΔH_f, kcal/mol:	-184.19
Dipole, Da:	2.31
IP(EA), eV:	-10.17(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,5-dimethylpyrazol-3-yl)pyrazol-3-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CN=C1CCl)OC(F)(F)F)Br

DOS

IR

Vibrations