Geometry & MOs

Info

ID:	198328
PubChem CID:	79089209
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	326.07422
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	3.56
IP(EA), eV:	-9.11(-0.23)
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-N,6-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC(CC1=NC(=NO1)C2CN(CCO2)C)O

DOS

IR

Vibrations