Geometry & MOs

Info

ID:	12943
PubChem CID:	218982
Reduced:	ClNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	311.165207
ΔH_f, kcal/mol:	-110.37
Dipole, Da:	5.92
IP(EA), eV:	-8.89(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenoxy-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol;hydrochloride

Drug info:

PubChemData

Smile

CC1(C=CC(N1CC(COC2=CC=CC=C2)O)(C)C)C.Cl

DOS

IR

Vibrations