Geometry & MOs

Info

ID:	412467
PubChem CID:	135085362
Reduced:	NPO2H46C68 (1)
Stoich.:	ABC2D46E68 (1)
Weight, g/mol:	616.24924
ΔH_f, kcal/mol:	136.64
Dipole, Da:	0.98
IP(EA), eV:	-8.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

C[C@@H](C1=CC=CC=C1)N([C@@H](C)C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C(O3)C(=CC2=CC=CC=C21)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

DOS

IR

Vibrations