Geometry & MOs

Info

ID:	398468
PubChem CID:	135033411
Reduced:	N3O7C13H15 (1)
Stoich.:	A3B7C13D15 (1)
Weight, g/mol:	446.22458
ΔH_f, kcal/mol:	-179.32
Dipole, Da:	4.39
IP(EA), eV:	-10.71(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)-(4-methoxyphenyl)-phenylmethyl]-1-benzofuran

Drug info:

PubChemData

Smile

CCOC(=O)NN(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC

DOS

IR

Vibrations