Geometry & MOs

Info

ID:	375361
PubChem CID:	131500082
Reduced:	N3H9C10 (1)
Stoich.:	A3B9C10 (1)
Weight, g/mol:	233.048605
ΔH_f, kcal/mol:	64.46
Dipole, Da:	3.87
IP(EA), eV:	-8.42(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-(trifluoromethylsulfanyl)phenyl]azetidine

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=CC=C2N)C#N

DOS

IR

Vibrations