Geometry & MOs

Info

ID:	197624
PubChem CID:	78983841
Reduced:	BrSO2N4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	268.96223
ΔH_f, kcal/mol:	-48.37
Dipole, Da:	6.8
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=O)NC1=O)NCC2=C(C=CS2)Br)N

DOS

IR

Vibrations