Geometry & MOs

Info

ID:	425003
PubChem CID:	135124802
Reduced:	SO3N5C28H39 (1)
Stoich.:	AB3C5D28E39 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-76.97
Dipole, Da:	12.49
IP(EA), eV:	-8.75(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC(=C(S3)C)CN4CC(=O)N(CC(C4)(C)C)C)C(C)(C)C(=O)O)C)N=N1

DOS

IR

Vibrations