Geometry & MOs

Info

ID:	147465
PubChem CID:	53787121
Reduced:	BrClO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	335.152144
ΔH_f, kcal/mol:	-82.36
Dipole, Da:	3.22
IP(EA), eV:	-9.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-1-yl)benzoate

Drug info:

PubChemData

Smile

COC=C(C(=CC1=CC=C(C=C1)Cl)Br)C(=O)OC

DOS

IR

Vibrations