Geometry & MOs

Info

ID:	208166
PubChem CID:	80501738
Reduced:	BrO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	4.19
IP(EA), eV:	-8.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylcyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCN1C=C(C=C(C1=O)Br)N

DOS

IR

Vibrations