Geometry & MOs

Info

ID:	420824
PubChem CID:	135114892
Reduced:	FN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-116.49
Dipole, Da:	6.35
IP(EA), eV:	-9.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations