Geometry & MOs

Info

ID:	63038
PubChem CID:	26738181
Reduced:	NO5H17C23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	371.97457
ΔH_f, kcal/mol:	-115.05
Dipole, Da:	5.13
IP(EA), eV:	-9.02(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-bromo-3-nitrophenyl)methylidene]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C4=CC=CC=C4C(=O)NC3=O

DOS

IR

Vibrations