Geometry & MOs

Info

ID:	215977
PubChem CID:	85085530
Reduced:	OSH5N5C7 (1)
Stoich.:	ABC5D5E7 (1)
Weight, g/mol:	207.100777
ΔH_f, kcal/mol:	71.67
Dipole, Da:	6.8
IP(EA), eV:	-9.45(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-3-(6-methylpyrimidin-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=NC2=C3C(C(=O)N=C(N3)N)SC2=N1

DOS

IR

Vibrations