Geometry & MOs

Info

ID:	70181
PubChem CID:	47211568
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	382.02906
ΔH_f, kcal/mol:	-83.04
Dipole, Da:	3.24
IP(EA), eV:	-9.12(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

C1COC(CO1)C(=O)NCCNC2=NC=CC=N2

DOS

IR

Vibrations