Geometry & MOs

Info

ID:	336935
PubChem CID:	127255942
Reduced:	ClFN3O3C16H17 (1)
Stoich.:	ABC3D3E16F17 (1)
Weight, g/mol:	321.11765
ΔH_f, kcal/mol:	-152.36
Dipole, Da:	12.81
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2S)-2-hydroxy-2-phenylacetic acid

Drug info:

PubChemData

Smile

C1CC12CN(CC2N)C3=C(C=C4C(=C3)NC=C(C4=O)C(=O)O)F.Cl

DOS

IR

Vibrations