Geometry & MOs

Info

ID:	209218
PubChem CID:	80639639
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	326.041125
ΔH_f, kcal/mol:	9.62
Dipole, Da:	6.83
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(2,5-dichlorophenyl)sulfanyl-5-methylpyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(C=C1)SC2=NC(=O)C=C(N2)N

DOS

IR

Vibrations