Geometry & MOs

Info

ID:	23279
PubChem CID:	602984
Reduced:	N3O3C21H35 (1)
Stoich.:	A3B3C21D35 (1)
Weight, g/mol:	377.267842
ΔH_f, kcal/mol:	-166.9
Dipole, Da:	5.27
IP(EA), eV:	-8.95(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-[1-[2-(4-pentanoylpiperazin-1-yl)ethylamino]ethylidene]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCN(CC1)CCNC(=C2C(=O)CC(CC2=O)(C)C)C

DOS

IR

Vibrations