Geometry & MOs

Info

ID:	182141
PubChem CID:	76852243
Reduced:	N5O6C20H21 (1)
Stoich.:	A5B6C20D21 (1)
Weight, g/mol:	368.129156
ΔH_f, kcal/mol:	-177.32
Dipole, Da:	7.57
IP(EA), eV:	-9.51(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpiperidin-4-yl) 2-chloro-1-phenylindole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC2=CN=C3C2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations