Geometry & MOs

Info

ID:	296454
PubChem CID:	117575462
Reduced:	FN5C13H14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	319.04326
ΔH_f, kcal/mol:	34.95
Dipole, Da:	4.64
IP(EA), eV:	-8.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1)NC2=NC=NC(=C2)NC3=CC=C(C=C3)F

DOS

IR

Vibrations