Geometry & MOs

Info

ID:	318367
PubChem CID:	126650843
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	405.181919
ΔH_f, kcal/mol:	-2.14
Dipole, Da:	1.77
IP(EA), eV:	-9.51(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C#N)OCC2=NNC(=O)N2C

DOS

IR

Vibrations