Geometry & MOs

Info

ID:	134615
PubChem CID:	51726725
Reduced:	N2O2C16H21 (1)
Stoich.:	A2B2C16D21 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-19.25
Dipole, Da:	4.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.192740
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2O1)[NH+](C)CC(=O)NC3CC3

DOS

IR

Vibrations