Geometry & MOs

Info

ID:	424360
PubChem CID:	135122398
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	213.976775
ΔH_f, kcal/mol:	-151.07
Dipole, Da:	7.96
IP(EA), eV:	-9.39(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCCOC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations