Geometry & MOs

Info

ID:	169258
PubChem CID:	75080586
Reduced:	O6N7C15H19 (1)
Stoich.:	A6B7C15D19 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	5.78
IP(EA), eV:	-8.53(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methylhept-3-enyl)-1-benzofuran

Drug info:

PubChemData

Smile

CC(=O)NC1=C(N=CN1CC(=O)NC(CO)C(=O)O)C2=NC(=CNOC)C=N2

DOS

IR

Vibrations