Geometry & MOs

Info

ID:	328722
PubChem CID:	126726886
Reduced:	ON2C14H14 (2)
Stoich.:	AB2C14D14 (2)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	26.85
Dipole, Da:	2.38
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[1-[4-(hydroxymethyl)phenyl]cyclopentyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)C)C2=CC=CC(=N2)/C=C(\C#N)/C(=O)NC3(CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations