Geometry & MOs

Info

ID:	285459
PubChem CID:	104106112
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-68.18
Dipole, Da:	2.65
IP(EA), eV:	-8.87(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(CC(C)O)NC1C2=CC=CC=C2CCC1(C)C

DOS

IR

Vibrations