Geometry & MOs

Info

ID:	14991
PubChem CID:	426229
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	3.59
IP(EA), eV:	-8.51(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-4-(2-hydroxyethyl)-2-(1H-indol-3-ylmethyl)piperidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CN(C(C(C1CCO)O)CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations