Geometry & MOs

Info

ID:	378459
PubChem CID:	134224541
Reduced:	NC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	419.098287
ΔH_f, kcal/mol:	2.67
Dipole, Da:	3.56
IP(EA), eV:	-9.31(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-fluoro-4-[(1S)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxyphenyl]sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CCCC(C1)C2=CC=NN2C)C

DOS

IR

Vibrations