Geometry & MOs

Info

ID:	304515
PubChem CID:	124756129
Reduced:	N2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	47.62
Dipole, Da:	3.48
IP(EA), eV:	-9.3(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=NNC(=N1)CN(C)[C@H]2CCCC3=CC=CC=C23

DOS

IR

Vibrations