Geometry & MOs

Info

ID:	159831
PubChem CID:	57288798
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	449.283098
ΔH_f, kcal/mol:	-146.85
Dipole, Da:	11.85
IP(EA), eV:	-8.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indol-2-yl)-3-(1H-indol-2-ylmethyl)-N-(3-phenylpropyl)pentan-1-amine

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H]([C@H]([C@@H]1O2)CC=CCCCC(=O)O)CNC(=O)CCC(=S)NC3=CC=CC=C3

DOS

IR

Vibrations