Geometry & MOs

Info

ID:	178915
PubChem CID:	76400759
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	3.22
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclopropanecarbonyl)-4-(pyridin-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2C3CN(CC3OCC2=O)C4=NC=CC=N4

DOS

IR

Vibrations