Geometry & MOs

Info

ID:	445160
PubChem CID:	135264697
Reduced:	NO2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-127.01
Dipole, Da:	2.64
IP(EA), eV:	-10.55(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[3-(2-hydroxyanilino)propylamino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC(C)(C)C(C)OC(=O)N

DOS

IR

Vibrations