Geometry & MOs

Info

ID:	334744
PubChem CID:	127253419
Reduced:	N5O6C24H25 (1)
Stoich.:	A5B6C24D25 (1)
Weight, g/mol:	381.100108
ΔH_f, kcal/mol:	-131.05
Dipole, Da:	11.03
IP(EA), eV:	-9.57(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)phenyl]acetic acid

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)C[C@H]4C(=O)N(C(=O)N4)CCC5=CC=CC=C5

DOS

IR

Vibrations