Geometry & MOs

Info

ID:	414488
PubChem CID:	135087446
Reduced:	N5O6C30H35 (1)
Stoich.:	A5B6C30D35 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-106.19
Dipole, Da:	11.52
IP(EA), eV:	-8.77(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-4-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations