Geometry & MOs

Info

ID:	123412
PubChem CID:	50846107
Reduced:	ON5C24H33 (1)
Stoich.:	AB5C24D33 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-1.17
Dipole, Da:	5.34
IP(EA), eV:	-8.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NC2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4)C

DOS

IR

Vibrations