Geometry & MOs

Info

ID:	415942
PubChem CID:	135088944
Reduced:	N3O5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	310.119654
ΔH_f, kcal/mol:	-130.83
Dipole, Da:	11.34
IP(EA), eV:	-9.5(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations