Geometry & MOs

Info

ID:	156261
PubChem CID:	56369859
Reduced:	NO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	430.123025
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	1.52
IP(EA), eV:	-8.69(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCN(C)C(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations