Geometry & MOs

Info

ID:	155034
PubChem CID:	56314675
Reduced:	SO2N3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	402.241962
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	2.69
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=C(C=C(C=C3)CN4CCSCC4)C

DOS

IR

Vibrations