Geometry & MOs

Info

ID:	417568
PubChem CID:	135102070
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-56.49
Dipole, Da:	3.06
IP(EA), eV:	-9.35(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropyl-1,2-oxazol-5-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)C(=O)N(CCO)CC2=CN=CN2C

DOS

IR

Vibrations