Geometry & MOs

Info

ID:	165143
PubChem CID:	74505261
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	470.244367
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	7.19
IP(EA), eV:	-9.05(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-hydroxy-1-(1H-indol-3-ylmethyl)azepan-1-ium-3-yl]-4-phenylmethoxybenzamide

Drug info:

PubChemData

Smile

CC(C)CN1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations