Geometry & MOs

Info

ID:	334170
PubChem CID:	127252722
Reduced:	ClN2F3O6H22C25 (1)
Stoich.:	AB2C3D6E22F25 (1)
Weight, g/mol:	401.137556
ΔH_f, kcal/mol:	-319.23
Dipole, Da:	7.43
IP(EA), eV:	-9.13(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[(1-methylpyrazol-4-yl)methyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations