Geometry & MOs

Info

ID:	121817
PubChem CID:	50782553
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	468.23727
ΔH_f, kcal/mol:	-121.22
Dipole, Da:	5.77
IP(EA), eV:	-8.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-[(4-methoxybenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)N2CCN(CC2)C3CCCCC3)C(=O)O

DOS

IR

Vibrations