Geometry & MOs

Info

ID:	342370
PubChem CID:	127265193
Reduced:	OS2N4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	270.100442
ΔH_f, kcal/mol:	99.58
Dipole, Da:	2.74
IP(EA), eV:	-9.18(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2-pyrimidin-4-ylethenyl)phenoxy]acetate

Drug info:

PubChemData

Smile

CN(C)C(=O)SC1=CC=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC=NC=C3

DOS

IR

Vibrations