Geometry & MOs

Info

ID:	325704
PubChem CID:	126684574
Reduced:	FON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	491.387563
ΔH_f, kcal/mol:	-85.33
Dipole, Da:	0.81
IP(EA), eV:	-8.8(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[[3-[1-[3-[(oxan-4-ylmethylamino)methyl]-5-propan-2-ylphenyl]propan-2-yl]phenyl]methyl]cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1)CNCCN2CCOCC2)F

DOS

IR

Vibrations