Geometry & MOs

Info

ID:	210238
PubChem CID:	80779656
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	8.2
IP(EA), eV:	-8.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-nitro-6-(propylamino)pyridin-2-yl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CCC(CC)CN(CC)C1=CC(=CC(=C1)NCC)[N+](=O)[O-]

DOS

IR

Vibrations