Geometry & MOs

Info

ID:	140153
PubChem CID:	52656319
Reduced:	BrNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	387.04701
ΔH_f, kcal/mol:	-68.07
Dipole, Da:	2.22
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-methoxy-N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)[C@@H](C)NC(=O)C3=C(C=CC(=C3)OC)Br

DOS

IR

Vibrations