Geometry & MOs

Info

ID:	296577
PubChem CID:	117584715
Reduced:	N5C12H23 (1)
Stoich.:	A5B12C23 (1)
Weight, g/mol:	249.195346
ΔH_f, kcal/mol:	11.25
Dipole, Da:	4.05
IP(EA), eV:	-8.6(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-aminopropyl)-6-N-(cyclobutylmethyl)-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)(C)CNC1=CC(=NC=N1)N(C)CCN

DOS

IR

Vibrations