Geometry & MOs

Info

ID:	270592
PubChem CID:	103637202
Reduced:	FON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	376.89076
ΔH_f, kcal/mol:	-92.4
Dipole, Da:	2.07
IP(EA), eV:	-9.16(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CNCC(C)(C)C(=O)N

DOS

IR

Vibrations