Geometry & MOs

Info

ID:	342064
PubChem CID:	127264777
Reduced:	OSN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	38.91
Dipole, Da:	3.61
IP(EA), eV:	-8.34(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[4-(2-pyrimidin-4-ylethenyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC2=NC=NC=C2)SC

DOS

IR

Vibrations