Geometry & MOs

Info

ID:	160207
PubChem CID:	57309169
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	192.045882
ΔH_f, kcal/mol:	-60.8
Dipole, Da:	2.38
IP(EA), eV:	-9.14(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethane-1,1-diol

Drug info:

PubChemData

Smile

C1CN(CC1OC=O)CC2=CC=CC=C2

DOS

IR

Vibrations