Geometry & MOs

Info

ID:	447375
PubChem CID:	135282426
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	505.120462
ΔH_f, kcal/mol:	-7.77
Dipole, Da:	5.47
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-[(1-hydroxycyclopropyl)methoxy]-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1OC[C@](C)(CC(C)C)N)C2=NC=NC(=C2)C

DOS

IR

Vibrations