Geometry & MOs

Info

ID:	194506
PubChem CID:	78546580
Reduced:	NOC13H20 (2)
Stoich.:	ABC13D20 (2)
Weight, g/mol:	387.024055
ΔH_f, kcal/mol:	22.6
Dipole, Da:	8.35
IP(EA), eV:	-3.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)(C)C)OCC(C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

DOS

IR

Vibrations