Geometry & MOs

Info

ID:	417233
PubChem CID:	135091751
Reduced:	ClO2N4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-34.64
Dipole, Da:	3.34
IP(EA), eV:	-8.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)C2=C(C=C(C=C2)Cl)OC

DOS

IR

Vibrations