Geometry & MOs

Info

ID:	419866
PubChem CID:	135109452
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	372.135304
ΔH_f, kcal/mol:	12.85
Dipole, Da:	6.38
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(4-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC2=C(S1)CCN(C2)CC3=CC=C(O3)C4=CC=NN4

DOS

IR

Vibrations