Geometry & MOs

Info

ID:	296452
PubChem CID:	117575180
Reduced:	N5C11H19 (1)
Stoich.:	A5B11C19 (1)
Weight, g/mol:	237.195346
ΔH_f, kcal/mol:	35.48
Dipole, Da:	4.03
IP(EA), eV:	-8.73(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(3-amino-2-methylpropyl)-4-N-butan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)(CNC1=CC(=NC=N1)NC2CC2)N

DOS

IR

Vibrations