Geometry & MOs

Info

ID:	260178
PubChem CID:	103183900
Reduced:	SO2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-46.57
Dipole, Da:	1.64
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]pyrrol-3-yl]ethanamine

Drug info:

PubChemData

Smile

COCCCOCCN1C=CN=C1C(=S)N

DOS

IR

Vibrations