Geometry & MOs

Info

ID:	156367
PubChem CID:	56370298
Reduced:	N3O3C26H31 (1)
Stoich.:	A3B3C26D31 (1)
Weight, g/mol:	441.299142
ΔH_f, kcal/mol:	-50.14
Dipole, Da:	4.51
IP(EA), eV:	-8.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=CC=C(C=C2)C(=O)N3CCCCC3CCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations