Geometry & MOs

Info

ID:	156090
PubChem CID:	56369104
Reduced:	BrClN2O3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-79.33
Dipole, Da:	2.66
IP(EA), eV:	-9.11(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-[butyl(ethyl)amino]benzoyl]-methylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

C1CCOC(C1)COCC2=CC(=CC=C2)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations