Geometry & MOs

Info

ID:	37903
PubChem CID:	8025434
Reduced:	NO2F3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	398.176106
ΔH_f, kcal/mol:	-202.58
Dipole, Da:	5.83
IP(EA), eV:	-9.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminobutan-1-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1OC)NC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations