Geometry & MOs

Info

ID:	418942
PubChem CID:	135107171
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-171.24
Dipole, Da:	2.85
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)CC2=CSC=C2)C(=O)O

DOS

IR

Vibrations