Geometry & MOs

Info

ID:	162254
PubChem CID:	57394071
Reduced:	NO6H21C26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	405.149381
ΔH_f, kcal/mol:	-130.49
Dipole, Da:	5.62
IP(EA), eV:	-8.96(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[anthracen-9-yl(dimethoxyphosphoryl)methyl]-4-methylaniline

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations