Geometry & MOs

Info

ID:	311992
PubChem CID:	126600661
Reduced:	NO5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	407.152431
ΔH_f, kcal/mol:	-194.31
Dipole, Da:	4.62
IP(EA), eV:	-9.02(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoropiperidin-1-yl)-N-pyridazin-3-yl-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(CCOCC1)N(CC2=CC=C(C=C2)OC)C(=O)C

DOS

IR

Vibrations