Geometry & MOs

Info

ID:	180407
PubChem CID:	76629000
Reduced:	ClN4O4C43H45 (1)
Stoich.:	AB4C4D43E45 (1)
Weight, g/mol:	216.05452
ΔH_f, kcal/mol:	-81.83
Dipole, Da:	6.68
IP(EA), eV:	-8.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-ethylheptane;yttrium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)CC(C(=O)N2CCN(C(=O)C2CCCCN)CCC3=CC4=CC=CC=C4C=C3)NC(=O)C5=CC=C(C=C5)OC6=CC=CC=C6

DOS

IR

Vibrations