Geometry & MOs

Info

ID:	238018
PubChem CID:	92728820
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	441.201219
ΔH_f, kcal/mol:	-137.02
Dipole, Da:	0.72
IP(EA), eV:	-9.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[4-[(2R)-2-(3-oxo-1,4-benzoxazin-4-yl)butanoyl]piperazin-1-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)C(=O)[C@@H]3CC(=O)N(C3)CCC4=CC=CC=C4

DOS

IR

Vibrations