Geometry & MOs

Info

ID:	418609
PubChem CID:	135106204
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	3.34
IP(EA), eV:	-8.95(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CCC2=CC=C(C=C2)O)O)CC3=CC=NC=C3

DOS

IR

Vibrations