Geometry & MOs

Info

ID:	204145
PubChem CID:	79919026
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-24.23
Dipole, Da:	2.84
IP(EA), eV:	-8.03(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)CCCOC3=CC=CC=C3N

DOS

IR

Vibrations