Geometry & MOs

Info

ID:	285216
PubChem CID:	104098684
Reduced:	BrNSO3C10H16 (1)
Stoich.:	ABCD3E10F16 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-105.96
Dipole, Da:	3.66
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(methoxymethyl)furan-2-yl]methylamino]-2-methylpropane-1,3-diol

Drug info:

PubChemData

Smile

CC(CO)(CO)NCC1=CC(=C(S1)OC)Br

DOS

IR

Vibrations