Geometry & MOs

Info

ID:	381007
PubChem CID:	134971631
Reduced:	NO3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	303.142328
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	6.33
IP(EA), eV:	-8.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

COC1=C2CC(=O)N(C(C2=C(C=C1)OC)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations