Geometry & MOs

Info

ID:	24316
PubChem CID:	609263
Reduced:	BrNO4C24H28 (1)
Stoich.:	ABC4D24E28 (1)
Weight, g/mol:	473.12017
ΔH_f, kcal/mol:	-157.47
Dipole, Da:	5.32
IP(EA), eV:	-9.39(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2-bromophenyl)-(2,2-dimethylpropanoyloxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=CC=CC=C2C1C(C3=CC=CC=C3Br)OC(=O)C(C)(C)C

DOS

IR

Vibrations