Geometry & MOs

Info

ID:	438443
PubChem CID:	135228184
Reduced:	BrO2N5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	277.122655
ΔH_f, kcal/mol:	28.39
Dipole, Da:	4.89
IP(EA), eV:	-9.11(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2E)-2-(dimethylaminomethylidene)-N'-(4-fluorophenyl)-5-oxopent-3-enehydrazide

Drug info:

PubChemData

Smile

COCC1=NN=C2N1CC3=C(N=CN3C4=C2C=C(C=C4)OC)CBr

DOS

IR

Vibrations