Geometry & MOs

Info

ID:	438282
PubChem CID:	135228013
Reduced:	NSF2O4H7C12 (1)
Stoich.:	ABC2D4E7F12 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	-119.53
Dipole, Da:	3.29
IP(EA), eV:	-10.7(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyltriazol-4-yl)-2-N-[oxan-4-yl(pyridin-2-yl)methyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations