Geometry & MOs

Info

ID:	207665
PubChem CID:	80434630
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	355.08954
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	10.04
IP(EA), eV:	-9.63(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-bromo-6-(2-methylpropyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CN(N=C(C1=O)C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations