Geometry & MOs

Info

ID:	220822
PubChem CID:	85240125
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	275.117095
ΔH_f, kcal/mol:	-131.33
Dipole, Da:	6.17
IP(EA), eV:	-9.8(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CC(C2COC(=O)N2C1C=O)OCC3=CC=CC=C3

DOS

IR

Vibrations