Geometry & MOs

Info

ID:	144015
PubChem CID:	53300459
Reduced:	NSO3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	408.04734
ΔH_f, kcal/mol:	-87.41
Dipole, Da:	3.75
IP(EA), eV:	-9.16(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(3-bromophenyl)imidazo[2,1-a]isoquinolin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S[C@]2(CC(=O)N[C@@H]2C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations