Geometry & MOs

Info

ID:	79604
PubChem CID:	49829693
Reduced:	ClNO2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-160.48
Dipole, Da:	4.41
IP(EA), eV:	-9.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[2-[[[2-(3-methoxyanilino)-2-oxo-1-phenylethyl]azaniumyl]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)CCNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations