Geometry & MOs

Info

ID:	266016
PubChem CID:	103557616
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	342.08306
ΔH_f, kcal/mol:	-116.5
Dipole, Da:	4.64
IP(EA), eV:	-8.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanol

Drug info:

PubChemData

Smile

CN1CC2=C(C=CC(=C2)C(CC3(CCC3)OC)O)NC1=O

DOS

IR

Vibrations