Geometry & MOs

Info

ID:	421967
PubChem CID:	135116928
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	32.74
Dipole, Da:	4.39
IP(EA), eV:	-9.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NO2)CN3C[C@H]([C@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations