Geometry & MOs

Info

ID:	194276
PubChem CID:	78508779
Reduced:	ClN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	376.142794
ΔH_f, kcal/mol:	-124.81
Dipole, Da:	6.4
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NCC[NH2+]C(CC(=O)NC2=CC=CC=C2Cl)C(=O)[O-]

DOS

IR

Vibrations