Geometry & MOs

Info

ID:	419276
PubChem CID:	135107879
Reduced:	ON3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	352.139862
ΔH_f, kcal/mol:	-13.61
Dipole, Da:	2.83
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N=CC=C2)CN3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations