Geometry & MOs

Info

ID:	393167
PubChem CID:	135019615
Reduced:	NCl2O5H13C18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	393.017078
ΔH_f, kcal/mol:	-148.61
Dipole, Da:	6.56
IP(EA), eV:	-9.34(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-(2,2-dichloroacetyl)pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N2C(=C1C(=O)C(Cl)Cl)C=CC3=CC=CC=C32)C(=O)OC

DOS

IR

Vibrations