Geometry & MOs

Info

ID:	169157
PubChem CID:	75068622
Reduced:	O4C29H50 (1)
Stoich.:	A4B29C50 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-219.5
Dipole, Da:	4.9
IP(EA), eV:	-9.2(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)OCOC)C1CCC2C1(CCCC2=CC(C34CC3CC(C4)O)OC)C

DOS

IR

Vibrations