Geometry & MOs

Info

ID:	321716
PubChem CID:	126666851
Reduced:	OC10H16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	420.172145
ΔH_f, kcal/mol:	-46.33
Dipole, Da:	2.73
IP(EA), eV:	-8.44(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,5-difluorocyclohexa-2,4-dien-1-yl)ethyl]-4-[[(3R,4R)-4-hydroxyoxan-3-yl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1(CC(=CC=C1)O)CC

DOS

IR

Vibrations