Geometry & MOs

Info

ID:	444884
PubChem CID:	135263803
Reduced:	BrNC11H12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	440.184841
ΔH_f, kcal/mol:	20.32
Dipole, Da:	3.72
IP(EA), eV:	-9.15(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1-methylbenzotriazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CC2C3=C(CC1N2)C=CC(=C3)Br

DOS

IR

Vibrations