Geometry & MOs

Info

ID:	395844
PubChem CID:	135026683
Reduced:	NH19C20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	282.157957
ΔH_f, kcal/mol:	43.73
Dipole, Da:	2.1
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C3CCCCC3=N2)C4=CC=CC=C4

DOS

IR

Vibrations