Geometry & MOs

Info

ID:	297031
PubChem CID:	117606537
Reduced:	ClFN2O2C20H22 (1)
Stoich.:	ABC2D2E20F22 (1)
Weight, g/mol:	380.17002
ΔH_f, kcal/mol:	-91.3
Dipole, Da:	7.24
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,4-difluoro-3-phenoxyphenyl)propyl]-2,3-dihydro-1H-isoindol-4-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=C(C(=C(C=C1)Cl)OC2=CC=CC(=C2)C(=O)N3CCCC3)F)N

DOS

IR

Vibrations