Geometry & MOs

Info

ID:	269096
PubChem CID:	103613141
Reduced:	N3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	264.220164
ΔH_f, kcal/mol:	-51.69
Dipole, Da:	3.34
IP(EA), eV:	-8.85(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(7-methyloctyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)O)C(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations