Geometry & MOs

Info

ID:	420047
PubChem CID:	135110884
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-113.01
Dipole, Da:	7.39
IP(EA), eV:	-8.25(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-ethyl-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=N/C(=C/2\C=CC=CC2=O)/N1)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations