Geometry & MOs

Info

ID:	163102
PubChem CID:	57641310
Reduced:	Cl2N3O5C29H29 (1)
Stoich.:	A2B3C5D29E29 (1)
Weight, g/mol:	426.053798
ΔH_f, kcal/mol:	-179.31
Dipole, Da:	2.77
IP(EA), eV:	-9.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2,4-dichlorophenyl)-2-methyl-5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=N1)CN(C2=O)CCNC(=O)OC(C)(C)C)C3=C(C=C(C=C3)Cl)Cl)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations