Geometry & MOs

Info

ID:	413979
PubChem CID:	135086932
Reduced:	ClO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	322.02046
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	2.45
IP(EA), eV:	-9.37(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4,5-dimethoxy-2-(phenoxymethyl)benzene

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H]2C[C@H](CC(O2)CCOCC3=CC=CC=C3)Cl

DOS

IR

Vibrations