Geometry & MOs

Info

ID:	205806
PubChem CID:	80159772
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	400.00324
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	2.47
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-6-methyl-3-[[3-(methylamino)-4-nitrophenyl]methyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CC1=NC=C(C=C1)C(=O)OC)C2CCCCC2

DOS

IR

Vibrations