Geometry & MOs

Info

ID:	84097
PubChem CID:	49864146
Reduced:	BrO3N5C15H20 (1)
Stoich.:	AB3C5D15E20 (1)
Weight, g/mol:	347.076928
ΔH_f, kcal/mol:	-63.46
Dipole, Da:	7.83
IP(EA), eV:	-9.18(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-2-[4-(trifluoromethyl)phenyl]chromen-6-yl]acetamide

Drug info:

PubChemData

Smile

CC1C(CCO1)N(C2=NC(=NC=C2Br)C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations