Geometry & MOs

Info

ID:	54555
PubChem CID:	17388887
Reduced:	NO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	393.215138
ΔH_f, kcal/mol:	-100.07
Dipole, Da:	1.89
IP(EA), eV:	-8.66(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenol;oxalic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

DOS

IR

Vibrations