Geometry & MOs

Info

ID:	418614
PubChem CID:	135106226
Reduced:	FNO4C19H28 (1)
Stoich.:	ABC4D19E28 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-215.44
Dipole, Da:	2.66
IP(EA), eV:	-8.31(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)CC3=CC(=C(C=C3F)OC)OC)O

DOS

IR

Vibrations