Geometry & MOs

Info

ID:	270572
PubChem CID:	103637154
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	325.0136
ΔH_f, kcal/mol:	-52.27
Dipole, Da:	2.24
IP(EA), eV:	-8.55(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC2=C(C=C(C=C2)OC)O

DOS

IR

Vibrations