Geometry & MOs

Info

ID:	74885
PubChem CID:	48422644
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	2.71
IP(EA), eV:	-8.71(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC2=C(C=C1)OCO2)OCC3CC3

DOS

IR

Vibrations