Geometry & MOs

Info

ID:	200750
PubChem CID:	79437556
Reduced:	BrON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	324.01835
ΔH_f, kcal/mol:	-1.57
Dipole, Da:	1.82
IP(EA), eV:	-9.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3-(5-ethylthiophen-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=N2)CC(CO)C3=CC=CC=C3Br

DOS

IR

Vibrations