Geometry & MOs

Info

ID:	313767
PubChem CID:	126617489
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	381.160103
ΔH_f, kcal/mol:	-122.31
Dipole, Da:	2.33
IP(EA), eV:	-9.56(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanopyridin-2-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)OCC1=CC=CC=C1)OC

DOS

IR

Vibrations