Geometry & MOs

Info

ID:	154657
PubChem CID:	56314144
Reduced:	FN3O4C26H32 (1)
Stoich.:	AB3C4D26E32 (1)
Weight, g/mol:	488.249807
ΔH_f, kcal/mol:	-156.14
Dipole, Da:	8.04
IP(EA), eV:	-9.1(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations