Geometry & MOs

Info

ID:	425128
PubChem CID:	135125256
Reduced:	FN5O7C32H32 (1)
Stoich.:	AB5C7D32E32 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-183.8
Dipole, Da:	1.76
IP(EA), eV:	-8.76(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1H-indol-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@]4([C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)F)O)CCN=[N+]=[N-]

DOS

IR

Vibrations