Geometry & MOs

Info

ID:	64851
PubChem CID:	29204092
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	337.19209
ΔH_f, kcal/mol:	-50.58
Dipole, Da:	10.07
IP(EA), eV:	-8.99(-0.98)
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,5S)-3,5-dimethylpiperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C)C

DOS

IR

Vibrations