Geometry & MOs

Info

ID:	343591
PubChem CID:	127266764
Reduced:	FNOC6H11 (2)
Stoich.:	ABCD6E11 (2)
Weight, g/mol:	301.106256
ΔH_f, kcal/mol:	-225.05
Dipole, Da:	4.05
IP(EA), eV:	-9.57(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(8-methyl-3,4-dihydro-2H-chromen-3-yl)amino]-3-nitro-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)N1CCC(C(C1)(F)F)O

DOS

IR

Vibrations