Geometry & MOs

Info

ID:	266018
PubChem CID:	103557651
Reduced:	ClOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	381.91577
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	3.48
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dibromo-2-[1-chloro-2-(1-methoxycyclobutyl)ethyl]benzene

Drug info:

PubChemData

Smile

COC1(CCC1)CC(C2=CC=C(C=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations