Geometry & MOs

Info

ID:	314714
PubChem CID:	126622806
Reduced:	O11C51H96 (1)
Stoich.:	A11B51C96 (1)
Weight, g/mol:	255.105942
ΔH_f, kcal/mol:	-638.56
Dipole, Da:	1.34
IP(EA), eV:	-9.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-fluorophenyl)-6-methyl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC(CCOC(=O)CCC(=O)OCCOCCOCCOCCOC(=O)C(=C)C)OCCCCCCCCCCCCCCCC

DOS

IR

Vibrations