Geometry & MOs

Info

ID:	233323
PubChem CID:	89650012
Reduced:	O2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	293.056719
ΔH_f, kcal/mol:	-15.31
Dipole, Da:	6.2
IP(EA), eV:	-8.19(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-chloro-2-nitrophenyl)-2-propan-2-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC3=C(NC(=O)C=C13)C(=O)N)C4=CC=CC=C4N2C

DOS

IR

Vibrations