Geometry & MOs

Info

ID:	417583
PubChem CID:	135102109
Reduced:	FON2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	391.166269
ΔH_f, kcal/mol:	-127.91
Dipole, Da:	1.54
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C(C)OC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations