Geometry & MOs

Info

ID:	369395
PubChem CID:	127333021
Reduced:	ClN2O4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-166.37
Dipole, Da:	7.24
IP(EA), eV:	-9.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCCC2C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations