Geometry & MOs

Info

ID:	438159
PubChem CID:	135227787
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	370.190595
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	2.02
IP(EA), eV:	-9.61(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1/C(=N\O)/C2=CC=CC=C2

DOS

IR

Vibrations