Geometry & MOs

Info

ID:	381764
PubChem CID:	134972592
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-101.96
Dipole, Da:	6.46
IP(EA), eV:	-9.99(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-chlorophenyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1OC(=O)[C@](O1)(CC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations