Geometry & MOs

Info

ID:	208016
PubChem CID:	80481481
Reduced:	BrOSN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	292.0245
ΔH_f, kcal/mol:	38.46
Dipole, Da:	4.08
IP(EA), eV:	-9.36(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromothiophen-2-yl)methylamino]-3-(dimethylamino)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(=O)NCC2=C(C=CS2)Br)C#CCN

DOS

IR

Vibrations