Geometry & MOs

Info

ID:	415330
PubChem CID:	135088324
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-60.39
Dipole, Da:	4.06
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1H-imidazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCC2=CC(=CC=C2)O)CC(=O)NCC3=CC=CS3

DOS

IR

Vibrations