Geometry & MOs

Info

ID:	134529
PubChem CID:	51711579
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-193.35
Dipole, Da:	3.25
IP(EA), eV:	-10.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,7R)-4-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC[C@H](CO)N=C1CC(CC(=O)[C@@H]1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)(C)C

DOS

IR

Vibrations