Geometry & MOs

Info

ID:	273721
PubChem CID:	103799408
Reduced:	BrNO4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-136.02
Dipole, Da:	2.52
IP(EA), eV:	-9.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC=C(O1)Br

DOS

IR

Vibrations