Geometry & MOs

Info

ID:	159529
PubChem CID:	57288421
Reduced:	ClN3C23H26 (1)
Stoich.:	AB3C23D26 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	52.89
Dipole, Da:	2.76
IP(EA), eV:	-8.31(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[2-(2-hydroxyethyl)pyrrol-2-yl]propyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2CC3=C(C2)C=C(C=C3)Cl)CCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations