Geometry & MOs

Info

ID:	309206
PubChem CID:	126540289
Reduced:	FON5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	374.150954
ΔH_f, kcal/mol:	13.27
Dipole, Da:	5.52
IP(EA), eV:	-8.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(1S)-1-[4-(chloromethyl)phenyl]ethyl]amino]-1-(2-methylpropyl)-4H-pyrimido[4,5-d][1,3]oxazin-2-one

Drug info:

PubChemData

Smile

C/C(=C\1/NC2=CC(=CC(=C2N1N=C)C(=O)N)F)/C34CC3CN(C4)C5CCC5

DOS

IR

Vibrations