Geometry & MOs

Info

ID:	277534
PubChem CID:	103829260
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	1.57
IP(EA), eV:	-9.03(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-cyano-4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CN2CC[C@H](C2)O

DOS

IR

Vibrations