Geometry & MOs

Info

ID:	157813
PubChem CID:	56437427
Reduced:	N2O3C26H28 (1)
Stoich.:	A2B3C26D28 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	4.79
IP(EA), eV:	-8.23(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-4-cyclopentyloxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCC2=CC(=CC=C2)N3CCCC3=O)OCC4=CC=CC=C4

DOS

IR

Vibrations