Geometry & MOs

Info

ID:	422100
PubChem CID:	135117196
Reduced:	O4N5C27H33 (1)
Stoich.:	A4B5C27D33 (1)
Weight, g/mol:	302.124212
ΔH_f, kcal/mol:	-62.69
Dipole, Da:	3.88
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2CCN1CC3=C(C(=CC=C3)OC)OCC4=CN(CCOC5=CC=CC(=C5)CC(=O)N2)N=N4

DOS

IR

Vibrations