Geometry & MOs

Info

ID:	190185
PubChem CID:	77963532
Reduced:	O4C19H32 (1)
Stoich.:	A4B19C32 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-241.95
Dipole, Da:	3.47
IP(EA), eV:	-10.06(2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-methylphenyl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-2-N-propylpyridine-2,4-diamine

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)C(CC4(C3(CCC(C4)O)C)O)O

DOS

IR

Vibrations