Geometry & MOs

Info

ID:	386753
PubChem CID:	134982804
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-82.31
Dipole, Da:	3.55
IP(EA), eV:	-9.71(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,6-trimethoxy-3-pent-4-enyl-1H-indene

Drug info:

PubChemData

Smile

CC(=O)OC1CCC(=O)NC1C(=C=C)C2=CC=CC=C2

DOS

IR

Vibrations