Geometry & MOs

Info

ID:	210367
PubChem CID:	80796854
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	284.138559
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	2.27
IP(EA), eV:	-8.27(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)NCCC(=O)OC

DOS

IR

Vibrations