Geometry & MOs

Info

ID:	48854
PubChem CID:	11528401
Reduced:	NC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	161.940598
ΔH_f, kcal/mol:	40.14
Dipole, Da:	1.98
IP(EA), eV:	-8.18(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1,1,3-trichloropropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NCCN=C

DOS

IR

Vibrations