Geometry & MOs

Info

ID:	144183
PubChem CID:	53328219
Reduced:	O4N7C26H35 (1)
Stoich.:	A4B7C26D35 (1)
Weight, g/mol:	413.162708
ΔH_f, kcal/mol:	-111.84
Dipole, Da:	6.78
IP(EA), eV:	-8.85(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[6-(4-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methyl]naphthalen-1-amine

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N2CCN(CC2)C(=O)NC3CCN(CC3)C4=NC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations