Geometry & MOs

Info

ID:	401101
PubChem CID:	135050120
Reduced:	ON4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	275.291277
ΔH_f, kcal/mol:	101.67
Dipole, Da:	3.36
IP(EA), eV:	-8.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;[(2S)-3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-2-yl]-(2,2-dimethylpropyl)azanide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N=C(C2=CC=CO2)N3C4=CC=CC=C4N=N3)C

DOS

IR

Vibrations