Geometry & MOs

Info

ID:	383733
PubChem CID:	134975619
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-57.29
Dipole, Da:	3.45
IP(EA), eV:	-9.32(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-2-oxo-5-(propan-2-yloxymethyl)furan-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(C)C(C)C1=CC=CC=C1

DOS

IR

Vibrations