Geometry & MOs

Info

ID:	222690
PubChem CID:	85320483
Reduced:	O8H62C63 (1)
Stoich.:	A8B62C63 (1)
Weight, g/mol:	264.162649
ΔH_f, kcal/mol:	-124.64
Dipole, Da:	3.54
IP(EA), eV:	-9.15(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9b-phenyl-2,3,4,5-tetrahydro-1H-indeno[1,2-b]pyridin-4a-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OC3C(C(C(C(O3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations