Geometry & MOs

Info

ID:	398775
PubChem CID:	135035359
Reduced:	OC25H28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	332.152478
ΔH_f, kcal/mol:	6.71
Dipole, Da:	3.07
IP(EA), eV:	-9.08(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-6-(3-methylphenyl)-2-phenylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC[C@H]([C@@H]([C@@H]1CC=C(C)C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations