Geometry & MOs

Info

ID:	421889
PubChem CID:	135116777
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-63.24
Dipole, Da:	2.26
IP(EA), eV:	-9.44(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)N[C@@H]2CC[C@H](C2)N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations