Geometry & MOs

Info

ID:	210542
PubChem CID:	80819942
Reduced:	N5C14H21 (1)
Stoich.:	A5B14C21 (1)
Weight, g/mol:	238.154209
ΔH_f, kcal/mol:	35.47
Dipole, Da:	3.61
IP(EA), eV:	-8.09(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-diaminopyrimidin-4-yl)amino]-N-propylpropanamide

Drug info:

PubChemData

Smile

CC1(CCCCC1)NC2=NC(=CN3C2=NC=C3)NC

DOS

IR

Vibrations