Geometry & MOs

Info

ID:	433097
PubChem CID:	135173234
Reduced:	PO4N7C37H42 (1)
Stoich.:	AB4C7D37E42 (1)
Weight, g/mol:	355.112777
ΔH_f, kcal/mol:	-94.75
Dipole, Da:	4.49
IP(EA), eV:	-8.31(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-9-phenyl-1,9a-dihydrofluoren-9-yl)pyridine

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8P

DOS

IR

Vibrations