Geometry & MOs

Info

ID:	133533
PubChem CID:	51542932
Reduced:	ClNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	370.249452
ΔH_f, kcal/mol:	-38.62
Dipole, Da:	3.75
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]-(3-morpholin-4-ylpropyl)azanium

Drug info:

PubChemData

Smile

C/C(=C/C(=O)C1=CC=C(C=C1)OC)/NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations