Geometry & MOs

Info

ID:	284066
PubChem CID:	104032618
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-44.79
Dipole, Da:	3.28
IP(EA), eV:	-8.47(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC=CC(=C1)NC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations