Geometry & MOs

Info

ID:	421660
PubChem CID:	135116391
Reduced:	ClO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	389.150619
ΔH_f, kcal/mol:	-39.59
Dipole, Da:	0.76
IP(EA), eV:	-9.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-pyrrolidin-1-ylphenyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CC3=CC(=O)N4C=C(C=CC4=N3)Cl

DOS

IR

Vibrations