Geometry & MOs

Info

ID:	205807
PubChem CID:	80160820
Reduced:	IO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	400.00324
ΔH_f, kcal/mol:	5.45
Dipole, Da:	4.88
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-2-methyl-3-[[3-(methylamino)-4-nitrophenyl]methyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C=N1)CC2=CC(=C(C=C2)[N+](=O)[O-])NC)I

DOS

IR

Vibrations