Geometry & MOs

Info

ID:	191511
PubChem CID:	78155093
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	507.236936
ΔH_f, kcal/mol:	-158.29
Dipole, Da:	4.88
IP(EA), eV:	-8.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1'-[4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC(C(=O)OC3=CC=CC=C3)N

DOS

IR

Vibrations