Geometry & MOs

Info

ID:	297701
PubChem CID:	117626127
Reduced:	NO4C31H53 (1)
Stoich.:	AB4C31D53 (1)
Weight, g/mol:	259.018225
ΔH_f, kcal/mol:	-272.67
Dipole, Da:	3.22
IP(EA), eV:	-9.4(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-ethenyl-5-nitro-2-propylsulfanylpyrimidine

Drug info:

PubChemData

Smile

CCC(CCCC(CCCC(C)C1CCCC(C1)O)C(=O)OC2CC3CCC2(C3)C)N4CCCC4=O

DOS

IR

Vibrations