Geometry & MOs

Info

ID:	83017
PubChem CID:	49857010
Reduced:	N5C8H13 (1)
Stoich.:	A5B8C13 (1)
Weight, g/mol:	165.101445
ΔH_f, kcal/mol:	33.87
Dipole, Da:	2.59
IP(EA), eV:	-8.93(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(azetidin-3-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CNC[C@@H]1NC2=NC(=NC=C2)N

DOS

IR

Vibrations