Geometry & MOs

Info

ID:	165144
PubChem CID:	74505262
Reduced:	N3O3C29H32 (1)
Stoich.:	A3B3C29D32 (1)
Weight, g/mol:	469.236542
ΔH_f, kcal/mol:	-35.32
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136060
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(C[NH+](C1)CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)O

DOS

IR

Vibrations