Geometry & MOs

Info

ID:	338678
PubChem CID:	127259689
Reduced:	OCl2N2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	449.07726
ΔH_f, kcal/mol:	-32.51
Dipole, Da:	3.52
IP(EA), eV:	-9.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-bromo-2-methoxy-N-[(1S,5R)-8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(=C)NC(=O)C1=CC(=C(C(=C1)Cl)N)Cl

DOS

IR

Vibrations