Geometry & MOs

Info

ID:	209347
PubChem CID:	80657077
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	281.140723
ΔH_f, kcal/mol:	-37.56
Dipole, Da:	6.88
IP(EA), eV:	-8.71(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-methyl-2-[(3-piperazin-1-ylazetidin-1-yl)methyl]pyrimidine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1)C)CN(CC(=O)N)C(C)C

DOS

IR

Vibrations