Geometry & MOs

Info

ID:	210757
PubChem CID:	80852139
Reduced:	N5C13H17 (1)
Stoich.:	A5B13C17 (1)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	62.95
Dipole, Da:	4.22
IP(EA), eV:	-8.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-aminopyrimidin-4-yl)amino]methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=N1)C2=NC=NC(=C2)NC

DOS

IR

Vibrations