Geometry & MOs

Info

ID:	83848
PubChem CID:	49861751
Reduced:	OCl2N4C27H56 (1)
Stoich.:	AB2C4D27E56 (1)
Weight, g/mol:	418.259835
ΔH_f, kcal/mol:	-192.8
Dipole, Da:	2.49
IP(EA), eV:	-8.42(1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxycyclohexyl)-4-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1CC(NNC1NCCC2CCN(CC2)CC3CCCCC3)C4CCCCC4.O.Cl.Cl

DOS

IR

Vibrations