Geometry & MOs

Info

ID:	64838
PubChem CID:	29204072
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	359.17644
ΔH_f, kcal/mol:	-50.01
Dipole, Da:	6.59
IP(EA), eV:	-8.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CN(N=C2C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4)C

DOS

IR

Vibrations