Geometry & MOs

Info

ID:	23645
PubChem CID:	605308
Reduced:	NO2Cl3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	306.993362
ΔH_f, kcal/mol:	-100.35
Dipole, Da:	3.8
IP(EA), eV:	-9.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5,7-dimethyl-2-(trichloromethyl)-3H-chromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=O)CC(OC2=C1)(C(Cl)(Cl)Cl)N)C

DOS

IR

Vibrations