Geometry & MOs

Info

ID:	19667
PubChem CID:	570005
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-73.01
Dipole, Da:	7.9
IP(EA), eV:	-9.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations