Geometry & MOs

Info

ID:	44562
PubChem CID:	10504084
Reduced:	NO2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	458.231791
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	0.83
IP(EA), eV:	-9.38(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[bis[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]ethyl]amino]ethylamino]methylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CN1C(=O)[C@H]2C=C[C@@]1([C@H]3C=C[C@@]2(N(C3=O)C)COCC4=CC=CC=C4)COCC5=CC=CC=C5

DOS

IR

Vibrations