Geometry & MOs

Info

ID:	147088
PubChem CID:	53786741
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-103.66
Dipole, Da:	6.0
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-phenylethyl)pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)C(C)(C(=O)O)NC2=CC=C(C=C2)C#N)OC3CCNCC3

DOS

IR

Vibrations