Geometry & MOs

Info

ID:	425107
PubChem CID:	135125181
Reduced:	F2N2O2C7H8 (1)
Stoich.:	A2B2C2D7E8 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-146.8
Dipole, Da:	4.01
IP(EA), eV:	-10.03(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-(4-methylquinolin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(N=C1)C(CO)(F)F

DOS

IR

Vibrations