Geometry & MOs

Info

ID:	337932
PubChem CID:	127258555
Reduced:	NCl2O3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	383.152144
ΔH_f, kcal/mol:	-172.93
Dipole, Da:	7.29
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(naphthalene-2-carbonylamino)naphthalen-2-yl] butanoate

Drug info:

PubChemData

Smile

CCCCCCCCCC(CCOC(=O)CCC)OC1=C(N=C(C=C1)Cl)Cl

DOS

IR

Vibrations