Geometry & MOs

Info

ID:	414247
PubChem CID:	135087203
Reduced:	F2N2O3C18H20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-150.73
Dipole, Da:	1.89
IP(EA), eV:	-9.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-propyl-1H-pyrazol-3-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)CC3=C(C(=CC=C3)F)F

DOS

IR

Vibrations