Geometry & MOs

Info

ID:	46412
PubChem CID:	10524299
Reduced:	NOSnC17H35 (1)
Stoich.:	ABCD17E35 (1)
Weight, g/mol:	387.034146
ΔH_f, kcal/mol:	-87.72
Dipole, Da:	4.14
IP(EA), eV:	-8.45(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)CN1CCCC1=O

DOS

IR

Vibrations