Geometry & MOs

Info

ID:	373141
PubChem CID:	131310626
Reduced:	NF2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-172.49
Dipole, Da:	3.14
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-6-methyl-3-(methylaminomethyl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1C(F)F)O)O)N

DOS

IR

Vibrations