Geometry & MOs

Info

ID:	203453
PubChem CID:	79832526
Reduced:	BrSN2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	245.122735
ΔH_f, kcal/mol:	55.05
Dipole, Da:	1.49
IP(EA), eV:	-9.07(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-4-[(1-methoxybutan-2-ylamino)methyl]phenol

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC(=N2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations