Geometry & MOs

Info

ID:	379934
PubChem CID:	134964356
Reduced:	NH15C17 (1)
Stoich.:	AB15C17 (1)
Weight, g/mol:	273.097663
ΔH_f, kcal/mol:	77.48
Dipole, Da:	4.04
IP(EA), eV:	-9.29(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C/C(=C\C2=CC=CC=C2)/C#N

DOS

IR

Vibrations