Geometry & MOs

Info

ID:	444731
PubChem CID:	135263391
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	2.35
IP(EA), eV:	-8.12(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-piperazin-1-ylpyrimidin-5-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCNCC2)CC(=O)OC

DOS

IR

Vibrations