Geometry & MOs

Info

ID:	342686
PubChem CID:	127265846
Reduced:	ON5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	291.023311
ΔH_f, kcal/mol:	88.44
Dipole, Da:	8.57
IP(EA), eV:	-9.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-chlorothiophen-2-yl)prop-1-en-2-yl]-6-methyl-4-oxo-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C)C#N

DOS

IR

Vibrations