Geometry & MOs

Info

ID:	210986
PubChem CID:	80880939
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	383.02431
ΔH_f, kcal/mol:	-24.23
Dipole, Da:	2.22
IP(EA), eV:	-9.14(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC2=NC(=NC(=N2)OC)N)C)C

DOS

IR

Vibrations