Geometry & MOs

Info

ID:	276993
PubChem CID:	103826179
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	241.104897
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	2.91
IP(EA), eV:	-8.73(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1(CCNC1)C(=O)NCC2CCCN2C

DOS

IR

Vibrations