Geometry & MOs

Info

ID:	296453
PubChem CID:	117575283
Reduced:	N5C12H23 (1)
Stoich.:	A5B12C23 (1)
Weight, g/mol:	259.123324
ΔH_f, kcal/mol:	4.82
Dipole, Da:	2.36
IP(EA), eV:	-8.83(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(azetidin-3-yl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC(C)NC1=NC=NC(=C1)NCC(C)CN

DOS

IR

Vibrations