Geometry & MOs

Info

ID:	276950
PubChem CID:	103825935
Reduced:	ClNO2C9H16 (1)
Stoich.:	ABC2D9E16 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-121.63
Dipole, Da:	4.48
IP(EA), eV:	-9.54(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-cyano-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)C(=O)CCCCCl

DOS

IR

Vibrations