Geometry & MOs

Info

ID:	219365
PubChem CID:	85147463
Reduced:	ClN2O7C18H21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	443.17644
ΔH_f, kcal/mol:	-271.35
Dipole, Da:	4.19
IP(EA), eV:	-9.59(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloropyridin-4-yl)-[1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC2C(=O)N(C3=C(C=C(C=C3)Cl)C(=O)N2C1)CC4C(C(C(C(O4)O)O)O)O

DOS

IR

Vibrations