Geometry & MOs

Info

ID:	203511
PubChem CID:	79839986
Reduced:	SN4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	270.012682
ΔH_f, kcal/mol:	109.3
Dipole, Da:	9.45
IP(EA), eV:	-8.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1NCC2=CSC=N2)C#N

DOS

IR

Vibrations