Geometry & MOs

Info

ID:	82835
PubChem CID:	49856637
Reduced:	ON3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	153.101445
ΔH_f, kcal/mol:	50.9
Dipole, Da:	4.41
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-aminoethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)CN(CCO)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations