Geometry & MOs

Info

ID:	29341
PubChem CID:	833168
Reduced:	ClN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	313.106256
ΔH_f, kcal/mol:	-21.27
Dipole, Da:	3.14
IP(EA), eV:	-9.53(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2-methoxynaphthalen-1-yl)-6-methyl-5-nitro-3,4-dihydro-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations