Geometry & MOs

Info

ID:	296614
PubChem CID:	117585793
Reduced:	NC2H3 (6)
Stoich.:	AB2C3 (6)
Weight, g/mol:	249.195346
ΔH_f, kcal/mol:	55.22
Dipole, Da:	2.08
IP(EA), eV:	-8.01(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(cyclobutylmethyl)-2-methyl-6-N-[2-(methylamino)ethyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=CNC=C2)NCCNC

DOS

IR

Vibrations