Geometry & MOs

Info

ID:	320233
PubChem CID:	126658863
Reduced:	Cl2N3O3C33H43 (1)
Stoich.:	A2B3C3D33E43 (1)
Weight, g/mol:	323.14339
ΔH_f, kcal/mol:	-121.28
Dipole, Da:	5.69
IP(EA), eV:	-8.35(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-1,3-dihydroisoindol-1-ol

Drug info:

PubChemData

Smile

CC(C)CC(C)C(C)(C)C(=O)N1C(=O)C=CC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations