Geometry & MOs

Info

ID:	194275
PubChem CID:	78508778
Reduced:	ClN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	391.129884
ΔH_f, kcal/mol:	-98.32
Dipole, Da:	6.81
IP(EA), eV:	-8.81(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloroanilino)-2-[2-(2-methoxyanilino)ethylazaniumyl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NCC[NH2+]C(CC(=O)NC2=CC=CC=C2Cl)C(=O)[O-]

DOS

IR

Vibrations