Geometry & MOs

Info

ID:	39097
PubChem CID:	8139691
Reduced:	ClN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	395.06204
ΔH_f, kcal/mol:	-74.84
Dipole, Da:	1.97
IP(EA), eV:	-9.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(3-iodobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)[C@@H](C)OC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations