Geometry & MOs

Info

ID:	121811
PubChem CID:	50782288
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-116.37
Dipole, Da:	2.82
IP(EA), eV:	-8.37(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonylamino)-5-[4-(2-ethoxyphenyl)piperazin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3CCCC3)C(=O)O

DOS

IR

Vibrations