Geometry & MOs

Info

ID:	352383
PubChem CID:	127283470
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-74.38
Dipole, Da:	4.98
IP(EA), eV:	-8.7(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C)C

DOS

IR

Vibrations