Geometry & MOs

Info

ID:	164847
PubChem CID:	74461578
Reduced:	NO6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	324.159969
ΔH_f, kcal/mol:	-206.39
Dipole, Da:	1.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755064
Charge, e:	1

Chem-info

IUPAC name:

1-(1-benzofuran-2-yl)ethyl-[(4-methoxycarbonylphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)N3CCCC(C3)C(=O)[O-]

DOS

IR

Vibrations