Geometry & MOs

Info

ID:	293123
PubChem CID:	117374286
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	1.43
IP(EA), eV:	-8.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)/C=C/CN

DOS

IR

Vibrations