Geometry & MOs

Info

ID:	159842
PubChem CID:	57288809
Reduced:	O7C42H82 (1)
Stoich.:	A7B42C82 (1)
Weight, g/mol:	257.120449
ΔH_f, kcal/mol:	-470.76
Dipole, Da:	3.8
IP(EA), eV:	-10.09(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3,4-dihydrobenzo[g]isoquinoline

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC1([C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)OCCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations