Geometry & MOs

Info

ID:	414570
PubChem CID:	135087529
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-35.98
Dipole, Da:	5.12
IP(EA), eV:	-8.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)NC2=NC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations