Geometry & MOs

Info

ID:	52748
PubChem CID:	12015835
Reduced:	BrNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-17.55
Dipole, Da:	3.35
IP(EA), eV:	-8.55(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-methylchromen-2-one

Drug info:

PubChemData

Smile

CC(C)(CO)N1C=C(C2=CC=CC=C21)Br

DOS

IR

Vibrations