Geometry & MOs

Info

ID:	40527
PubChem CID:	8144274
Reduced:	SN5C20H24 (1)
Stoich.:	AB5C20D24 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	122.76
Dipole, Da:	4.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.807906
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N'-[(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-pentylcyclopropane-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations