Geometry & MOs

Info

ID:	30397
PubChem CID:	841250
Reduced:	BrON4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	268.121178
ΔH_f, kcal/mol:	57.47
Dipole, Da:	3.0
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-hydroxyanilino)-1-pyridin-3-ylpent-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)C(=O)NN=CC2=CC=CC=C2)C

DOS

IR

Vibrations