Geometry & MOs

Info

ID:	420157
PubChem CID:	135111503
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-25.43
Dipole, Da:	4.88
IP(EA), eV:	-8.88(-0.5)
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]-2-ethyl-N-methyl-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=C(C=N2)CN3C[C@@H]4COC[C@H](C3)NC4=O)C

DOS

IR

Vibrations