Geometry & MOs

Info

ID:	416952
PubChem CID:	135090897
Reduced:	ClN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	375.134969
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	3.65
IP(EA), eV:	-8.91(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-methylpyrazol-3-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=NOC(=C2C(=O)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations