Geometry & MOs

Info

ID:	260151
PubChem CID:	103183317
Reduced:	FON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	312.025475
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	5.44
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dichlorophenyl)sulfanylmethyl]-3,5-dimethylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)OCC2=NC=C(C(=C2C)N)C

DOS

IR

Vibrations