Geometry & MOs

Info

ID:	210557
PubChem CID:	80822803
Reduced:	NC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	2.5
IP(EA), eV:	-8.33(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dihydroisoindol-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC(=N1)C)N2CCCC(C2C)C)C

DOS

IR

Vibrations