Geometry & MOs

Info

ID:	284067
PubChem CID:	104032626
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	310.99194
ΔH_f, kcal/mol:	-17.45
Dipole, Da:	2.48
IP(EA), eV:	-8.29(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-iodophenyl)pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=CC(=C1)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations