Geometry & MOs

Info

ID:	324150
PubChem CID:	126677032
Reduced:	Cl2F3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	377.157578
ΔH_f, kcal/mol:	-229.93
Dipole, Da:	2.34
IP(EA), eV:	-9.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydrazinyl-4-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]pyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC1(C(C1C(=O)OC/C(=C(/C(=C(/COC)\C=C)/F)\F)/CF)C=C(Cl)Cl)C

DOS

IR

Vibrations