Geometry & MOs

Info

ID:	265978
PubChem CID:	103557435
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-62.27
Dipole, Da:	3.41
IP(EA), eV:	-9.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)NCC2=CC(=CC=C2)C#CCO

DOS

IR

Vibrations