Geometry & MOs

Info

ID:	336012
PubChem CID:	127255019
Reduced:	O3N4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	568.16852
ΔH_f, kcal/mol:	5.84
Dipole, Da:	9.31
IP(EA), eV:	-9.12(-1.08)
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-(4-methoxyphenoxy)acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=CC=NC3=NC=NN23)OC)OC

DOS

IR

Vibrations