Geometry & MOs

Info

ID:	422422
PubChem CID:	135117810
Reduced:	NF3O4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-326.35
Dipole, Da:	7.49
IP(EA), eV:	-9.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyquinoxalin-2-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)O

DOS

IR

Vibrations