Geometry & MOs

Info

ID:	419176
PubChem CID:	135107677
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	356.20124
ΔH_f, kcal/mol:	-73.43
Dipole, Da:	6.45
IP(EA), eV:	-8.83(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CCN1CC(CC1=O)CNC2=C(C=CC=N2)C(=O)N3CCCC3

DOS

IR

Vibrations