Geometry & MOs

Info

ID:	124889
PubChem CID:	50901580
Reduced:	OCl2N2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	345.136493
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	5.98
IP(EA), eV:	-8.98(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-methoxyphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CNC(=CC(=O)C2=C(C=C(C=C2)Cl)Cl)N1

DOS

IR

Vibrations