Geometry & MOs

Info

ID:	296207
PubChem CID:	117560758
Reduced:	ON2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	24.81
Dipole, Da:	5.71
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-diethylanilino)-2-methylpyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCC2=CC3=C(C=C2)OCO3)C#N

DOS

IR

Vibrations