Geometry & MOs

Info

ID:	382129
PubChem CID:	134973079
Reduced:	O2N3C28H30 (2)
Stoich.:	A2B3C28D30 (2)
Weight, g/mol:	334.135765
ΔH_f, kcal/mol:	1.97
Dipole, Da:	4.08
IP(EA), eV:	-8.67(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-phenylbenzo[g][1]benzofuran

Drug info:

PubChemData

Smile

CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=NC(=NC(=C5C6=CC=CC=C6)O[C@H]([C@H]7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC)C1=CC=CC=C1

DOS

IR

Vibrations