Geometry & MOs

Info

ID:	415710
PubChem CID:	135088710
Reduced:	NO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	375.134969
ΔH_f, kcal/mol:	-105.77
Dipole, Da:	4.84
IP(EA), eV:	-9.0(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-5-methyl-1H-pyrazol-3-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations