Geometry & MOs

Info

ID:	223701
PubChem CID:	85335443
Reduced:	OF2N4C29H36 (1)
Stoich.:	AB2C4D29E36 (1)
Weight, g/mol:	495.252192
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	2.9
IP(EA), eV:	-8.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-[3-(9-methoxy-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene)propyl]-2-methylspiro[4H-isoquinoline-1,5'-piperidine]-3-one

Drug info:

PubChemData

Smile

CCCCN(CC1=NC2=CC=CC=C2N1CC=CCN3CCCCCC3)C(=O)C4=C(C(=CC=C4)F)F

DOS

IR

Vibrations