Geometry & MOs

Info

ID:	396570
PubChem CID:	135028787
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	32.39
Dipole, Da:	2.72
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(furan-2-yl)-1-nitrocyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)N(C3=C(C=CC(=N3)C(C)C)C(=O)N2)C4CC4

DOS

IR

Vibrations