Geometry & MOs

Info

ID:	416043
PubChem CID:	135089048
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-9.08
Dipole, Da:	4.93
IP(EA), eV:	-8.47(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=C(C=N1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations