Geometry & MOs

Info

ID:	265996
PubChem CID:	103557539
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	274.052735
ΔH_f, kcal/mol:	-24.69
Dipole, Da:	4.54
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-2-(1-methoxycyclobutyl)ethanol

Drug info:

PubChemData

Smile

COC1(CCC1)CC(C2=CN(N=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations