Geometry & MOs

Info

ID:	376865
PubChem CID:	134222894
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	39.79
Dipole, Da:	2.44
IP(EA), eV:	-8.58(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-1-methyl-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CNC=C)C=C

DOS

IR

Vibrations