Geometry & MOs

Info

ID:	396232
PubChem CID:	135027805
Reduced:	BrN2O3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	347.113313
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	2.3
IP(EA), eV:	-9.29(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2,4-dimethyl-6-phenyl-4-(2,2,2-trifluoroethyl)isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1Br)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations