Geometry & MOs

Info

ID:	246581
PubChem CID:	103061384
Reduced:	ClO2N5H12C13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	319.02416
ΔH_f, kcal/mol:	7.39
Dipole, Da:	2.87
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC3=CN=C(C=N3)NN

DOS

IR

Vibrations