Geometry & MOs

Info

ID:

59283

PubChem CID:

24775878

Reduced:

NO2C25H31 (1)

Stoich.:

AB2C25D31 (1)

Weight, g/mol:

639.332174

ΔHf, kcal/mol:

-41.02

Dipole, Da:

4.9

IP(EA), eV:

 -9.03(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-(diethylamino)phenyl]diazenyl]-N-[3-[[9-(ethylamino)-10-methylbenzo[a]phenoxazin-5-ylidene]amino]propyl]benzamide

Drug info:

PubChemData

Smile

C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=C\C4=CC=CC=N4)CC[C@@]56[C@@]3(CCC(=O)[C@@H]5O6)C

DOS

IR

Vibrations