Geometry & MOs

Info

ID:	354192
PubChem CID:	127286156
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-120.41
Dipole, Da:	3.4
IP(EA), eV:	-8.26(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-ethylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations