Geometry & MOs

Info

ID:	211000
PubChem CID:	80882026
Reduced:	IN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	341.99776
ΔH_f, kcal/mol:	21.18
Dipole, Da:	5.94
IP(EA), eV:	-8.95(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-iodophenoxy)-4-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=CC=C1)OC2=CC(=CC=C2)I)[N+](=O)[O-]

DOS

IR

Vibrations