Geometry & MOs

Info

ID:	317408
PubChem CID:	126637331
Reduced:	O4N6C25H28 (1)
Stoich.:	A4B6C25D28 (1)
Weight, g/mol:	357.209264
ΔH_f, kcal/mol:	-68.23
Dipole, Da:	5.52
IP(EA), eV:	-8.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-nitroso-3,5-bis(2-phenylpropan-2-yl)benzene

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC4=C3N=CN=C4N(C)C)COC5=CC6=C(C=C5)C=CC(=N6)N)C

DOS

IR

Vibrations