Geometry & MOs

Info

ID:

376268

PubChem CID:

134222278

Reduced:

N3C27H35 (1)

Stoich.:

A3B27C35 (1)

Weight, g/mol:

570.257997

ΔHf, kcal/mol:

44.28

Dipole, Da:

3.72

IP(EA), eV:

 -7.82(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-[2-tert-butyl-1-(2,4-dichlorophenyl)pentylidene]amino]-2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-5-yl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC2=C(C1)NC3=C(C=CC=C23)CC(C)(C)C4=CC=CC(=N4)C5CC5

DOS

IR

Vibrations