Geometry & MOs

Info

ID:	283156
PubChem CID:	103961572
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	355.9644
ΔH_f, kcal/mol:	-69.71
Dipole, Da:	5.47
IP(EA), eV:	-10.56(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromo-5-nitro-4-oxopyridin-1-yl)methyl]-5-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(CC#N)O)(C)C)C

DOS

IR

Vibrations