Geometry & MOs

Info

ID:	444933
PubChem CID:	135264014
Reduced:	O3N4C31H34 (1)
Stoich.:	A3B4C31D34 (1)
Weight, g/mol:	371.08848
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	4.27
IP(EA), eV:	-9.05(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3,5,6-tetramethylphenyl)methanone

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=C(C=C(C(=C5)C)C)C)C=C3)C)N=N1

DOS

IR

Vibrations