Geometry & MOs

Info

ID:	312870
PubChem CID:	126609311
Reduced:	NPO4C21H38 (1)
Stoich.:	ABC4D21E38 (1)
Weight, g/mol:	227.00581
ΔH_f, kcal/mol:	-183.32
Dipole, Da:	2.38
IP(EA), eV:	-7.93(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(3-methylazetidin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)N(CCOCCOCCOC)CC(C)(C)C)COP

DOS

IR

Vibrations