Geometry & MOs

Info

ID:	290739
PubChem CID:	109894540
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	301.04775
ΔH_f, kcal/mol:	-123.08
Dipole, Da:	2.17
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)N(CC(C)O)C(=O)C1=CC2=C(C=C1)N(C(=O)N2)C

DOS

IR

Vibrations