Geometry & MOs

Info

ID:	210244
PubChem CID:	80780450
Reduced:	OSN4C10H18 (1)
Stoich.:	ABC4D10E18 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-28.13
Dipole, Da:	2.5
IP(EA), eV:	-8.55(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(ethylamino)-2-nitroanilino]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CO)NC1=NC(=NC(=C1)NC)SC

DOS

IR

Vibrations