Geometry & MOs

Info

ID:	383016
PubChem CID:	134974504
Reduced:	OBr2N5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	247.063329
ΔH_f, kcal/mol:	62.11
Dipole, Da:	2.17
IP(EA), eV:	-8.29(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chromeno[3,4-c]isoquinolin-6-one

Drug info:

PubChemData

Smile

CN1C(NC=C1C#CCNC(=O)C2=CC(=C(N2)Br)Br)N

DOS

IR

Vibrations