Geometry & MOs

Info

ID:	433009
PubChem CID:	135173146
Reduced:	FO2N9C35H36 (1)
Stoich.:	AB2C9D35E36 (1)
Weight, g/mol:	414.14741
ΔH_f, kcal/mol:	64.25
Dipole, Da:	1.11
IP(EA), eV:	-8.71(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole

Drug info:

PubChemData

Smile

C1CCC(C1)C(NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/N=C6C=NC=C(C6=N5)C7=CC(=CC(=C7)F)OCCN8CCCC8)/NN4)O

DOS

IR

Vibrations