Geometry & MOs

Info

ID:	342674
PubChem CID:	127265834
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	237.996762
ΔH_f, kcal/mol:	6.1
Dipole, Da:	1.19
IP(EA), eV:	-8.36(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chlorothiophen-2-yl)ethenyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1CC(OC=C1)CN2CCN(CC2)CC=CC3=CC=CC=C3

DOS

IR

Vibrations