Geometry & MOs

Info

ID:	28987
PubChem CID:	831017
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-27.59
Dipole, Da:	2.54
IP(EA), eV:	-8.8(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-5,5-diethyl-1-methylpyrimidine-4,6-dione

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H]3[C@@H]([C@@H]1CCC2=NN)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations