Geometry & MOs

Info

ID:	420490
PubChem CID:	135113434
Reduced:	N3O6H17C18 (1)
Stoich.:	A3B6C17D18 (1)
Weight, g/mol:	366.241962
ΔH_f, kcal/mol:	-154.2
Dipole, Da:	6.34
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations