Geometry & MOs

Info

ID:	23825
PubChem CID:	606493
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-10.55
Dipole, Da:	4.43
IP(EA), eV:	-8.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-butoxyphenyl)methylideneamino]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C=NNC2=CC(=NC(=N2)C)N3CCOCC3

DOS

IR

Vibrations