Geometry & MOs

Info

ID:	220234
PubChem CID:	85176944
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	226.121846
ΔH_f, kcal/mol:	-144.42
Dipole, Da:	2.84
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylideneamino)-2,6-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC(=O)C(C1=CC(=C(C(=C1)O)OC)O)N

DOS

IR

Vibrations