Geometry & MOs

Info

ID:	140590
PubChem CID:	52726657
Reduced:	ClN2O4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	369.113658
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	5.96
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[2-(2,6-dichlorophenyl)acetyl]-[(5-methylfuran-2-yl)methyl]amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)N(CCN(C)C)CC2=CC=C(O2)C)OC

DOS

IR

Vibrations