Geometry & MOs

Info

ID:	414883
PubChem CID:	135087855
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	7.64
Dipole, Da:	4.29
IP(EA), eV:	-7.98(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(CC1CCN(C1)C2=CC=CC=C2)CC(=O)N(C)C3=CC=CC=C3

DOS

IR

Vibrations