Geometry & MOs

Info

ID:	43134
PubChem CID:	10318891
Reduced:	BrClN2O3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	403.062349
ΔH_f, kcal/mol:	-132.23
Dipole, Da:	5.24
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[[5-chloro-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentyl]amino]methylidene]cyclohexa-2,4-dien-1-one;cobalt

Drug info:

PubChemData

Smile

CC1(CC2(C3=C(O1)C=CC(=C3)Cl)C(=O)N(C(=O)N2)CCCBr)C

DOS

IR

Vibrations