Geometry & MOs

Info

ID:	433083
PubChem CID:	135173220
Reduced:	FO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	-63.39
Dipole, Da:	4.98
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

C[C@H]1COCC2=NC3=C(N12)C=C(C=C3)C4=CN=C(N=C4)N5CCC(CC5)(CO)F

DOS

IR

Vibrations