Geometry & MOs

Info

ID:	252519
PubChem CID:	103111937
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	294.051968
ΔH_f, kcal/mol:	7.37
Dipole, Da:	4.91
IP(EA), eV:	-9.43(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[(2-methyl-3-nitrophenyl)methylamino]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=NC(=NC=C2Cl)OC

DOS

IR

Vibrations