Geometry & MOs

Info

ID:	433158
PubChem CID:	135173295
Reduced:	ON2F3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-158.82
Dipole, Da:	4.28
IP(EA), eV:	-9.61(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1C(N=C(CO1)N)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations