Geometry & MOs

Info

ID:	64852
PubChem CID:	29204094
Reduced:	ClON3C18H28 (1)
Stoich.:	ABC3D18E28 (1)
Weight, g/mol:	337.19209
ΔH_f, kcal/mol:	-46.23
Dipole, Da:	5.36
IP(EA), eV:	-8.94(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)/C=C/C2=C(N(N=C2C)CC(C)C)Cl)C

DOS

IR

Vibrations