Geometry & MOs

Info

ID:	198334
PubChem CID:	79089361
Reduced:	BrON4C14H23 (1)
Stoich.:	ABC4D14E23 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-25.67
Dipole, Da:	3.08
IP(EA), eV:	-8.77(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1Br)CC)C2CN(CCO2)C

DOS

IR

Vibrations