Geometry & MOs

Info

ID:	421553
PubChem CID:	135116197
Reduced:	N3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	380.257612
ΔH_f, kcal/mol:	-27.46
Dipole, Da:	1.47
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[[1-(4-butylphenyl)pyrazol-4-yl]methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

COC1=CC(=NC=C1)C(=O)NCC2=COC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations