Geometry & MOs

Info

ID:	357241
PubChem CID:	127293757
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-92.9
Dipole, Da:	10.07
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(C=C(C(=O)N2)C(=O)N3CCN(CC3)CC4=NC=CN4C)C(=O)C1)C

DOS

IR

Vibrations