Geometry & MOs

Info

ID:	72533
PubChem CID:	48416277
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-104.58
Dipole, Da:	9.73
IP(EA), eV:	-8.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2,3-dihydro-1-benzofuran-5-carbonylamino)methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C3N=C(C=C(N3N=C2)C)C)C(=O)OC

DOS

IR

Vibrations