Geometry & MOs

Info

ID:	14870
PubChem CID:	423123
Reduced:	ClN2O2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	395.152631
ΔH_f, kcal/mol:	6.29
Dipole, Da:	8.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773879
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[2-[4-(4-chlorophenoxy)anilino]-2-oxoethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations