Geometry & MOs

Info

ID:	227123
PubChem CID:	87560285
Reduced:	ClN4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	496.334453
ΔH_f, kcal/mol:	96.18
Dipole, Da:	3.64
IP(EA), eV:	-8.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-oxobutanoate;(Z)-octadec-9-enoate;propan-2-yloxyaluminum(2+)

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC3=CC=CC=C3N(C4=CC=CC=C42)Cl

DOS

IR

Vibrations