Geometry & MOs

Info

ID:	421520
PubChem CID:	135116159
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	385.134779
ΔH_f, kcal/mol:	-20.0
Dipole, Da:	5.35
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(ON=C1N2CCCC2)C3=CC=C(C=C3)OC)N4C=CN=C4

DOS

IR

Vibrations