Geometry & MOs

Info

ID:	402761
PubChem CID:	135057153
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	237.053212
ΔH_f, kcal/mol:	-69.47
Dipole, Da:	6.41
IP(EA), eV:	-10.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]azanium;chloride

Drug info:

PubChemData

Smile

CC(C)[C@]1(CCC[C@H]1C[N+](=O)[O-])C=O

DOS

IR

Vibrations