Geometry & MOs

Info

ID:	161045
PubChem CID:	57390614
Reduced:	O5C9H10 (3)
Stoich.:	A5B9C10 (3)
Weight, g/mol:	270.209599
ΔH_f, kcal/mol:	-586.69
Dipole, Da:	7.95
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,3-dimethylpiperidin-1-yl)propyl]-1H-indole

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O

DOS

IR

Vibrations