Geometry & MOs

Info

ID:	64825
PubChem CID:	29204051
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	345.16079
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	10.29
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C

DOS

IR

Vibrations