Geometry & MOs

Info

ID:	336466
PubChem CID:	127255473
Reduced:	N2O2F3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	142.990469
ΔH_f, kcal/mol:	-202.45
Dipole, Da:	4.49
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-amino-1,3-dichloropropan-2-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)CN)C=C1CN.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations