Geometry & MOs

Info

ID:	335801
PubChem CID:	127254663
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	566.18925
ΔH_f, kcal/mol:	-16.52
Dipole, Da:	6.15
IP(EA), eV:	-8.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[5-bromo-2-oxo-1-[[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-ylidene]amino]-2-(2,3-dimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=CN(C(=O)C4=CC=CC=C43)C

DOS

IR

Vibrations