Geometry & MOs

Info

ID:	29645
PubChem CID:	836044
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	309.03644
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	3.14
IP(EA), eV:	-9.11(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-(diethylamino)-4-methylchromen-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)NC2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations