Geometry & MOs

Info

ID:	216061
PubChem CID:	85085651
Reduced:	ON7C8H11 (1)
Stoich.:	AB7C8D11 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	76.4
Dipole, Da:	4.11
IP(EA), eV:	-9.2(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-3-pyrimidin-4-ylprop-2-enoate

Drug info:

PubChemData

Smile

COC(=N)C1=NC=CC(=N1)C=NN=C(N)N

DOS

IR

Vibrations