Geometry & MOs

Info

ID:	416652
PubChem CID:	135089959
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	4.97
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

COCCCCCC(=O)N1CCCC2(C1)CCC3=CN=C(N=C23)C4=CC=CC=C4

DOS

IR

Vibrations