Geometry & MOs

Info

ID:	338680
PubChem CID:	127259691
Reduced:	BrO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	405.127776
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	6.88
IP(EA), eV:	-8.74(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC4=CC=CC=C4)Br)N

DOS

IR

Vibrations