Geometry & MOs

Info

ID:	147032
PubChem CID:	53785954
Reduced:	N2O4F6C29H36 (1)
Stoich.:	A2B4C6D29E36 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-474.24
Dipole, Da:	5.46
IP(EA), eV:	-8.19(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,7-trimethyl-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

CCCCCCN1[C@@H](C[C@@H](C2=CC(=C(C=C21)OC)OC)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)C

DOS

IR

Vibrations