Geometry & MOs

Info

ID:	149558
PubChem CID:	53789231
Reduced:	SN4C8H12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	301.065176
ΔH_f, kcal/mol:	58.48
Dipole, Da:	3.85
IP(EA), eV:	-8.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloropyridin-3-yl)methyl]-N-(1-methylsulfanyl-2-nitroethenyl)propan-1-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC=C1C=NC)SC

DOS

IR

Vibrations