Geometry & MOs

Info

ID:	421037
PubChem CID:	135115266
Reduced:	FN3O5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-183.7
Dipole, Da:	5.05
IP(EA), eV:	-9.27(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3,5-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CCN(CC1)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations