Geometry & MOs

Info

ID:	417075
PubChem CID:	135091256
Reduced:	ClON5C13H20 (1)
Stoich.:	ABC5D13E20 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-10.05
Dipole, Da:	1.9
IP(EA), eV:	-8.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(pyridin-3-ylmethyl)spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)N2C[C@H]3CN([C@@H](C2)COC3)C)Cl

DOS

IR

Vibrations