Geometry & MOs

Info

ID:	374014
PubChem CID:	131322349
Reduced:	ClNC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	205.056135
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	3.22
IP(EA), eV:	-9.11(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxythiolan-3-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC[C@@H](C)N)Cl

DOS

IR

Vibrations