Geometry & MOs

Info

ID:	27726
PubChem CID:	823287
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-35.8
Dipole, Da:	6.49
IP(EA), eV:	-8.84(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1COC2=CC=CC=C2O1)NCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations