Geometry & MOs

Info

ID:	357240
PubChem CID:	127293756
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	5.87
IP(EA), eV:	-9.23(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)C(=O)C3=CC4=C(CC(CC4=O)(C)C)NC3=O

DOS

IR

Vibrations