Geometry & MOs

Info

ID:	188683
PubChem CID:	77753605
Reduced:	O3N7C25H29 (1)
Stoich.:	A3B7C25D29 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-30.41
Dipole, Da:	8.03
IP(EA), eV:	-8.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(7-oxo-4,4a-dihydro-3H-pyrimido[4,5-c]oxazin-1-yl)pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C2=NC(=NC=C12)NC3=CC=C(C=C3)N4CCC(C4)C5NC(=O)ON5)C6CCCC6

DOS

IR

Vibrations