Geometry & MOs

Info

ID:	433229
PubChem CID:	135173366
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	3.38
Dipole, Da:	3.99
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1COCC2=NC3=C(N12)C=C(C=C3)C4=CN=C(N=C4)N5CCCNC(=O)C5

DOS

IR

Vibrations