Geometry & MOs

Info

ID:	40532
PubChem CID:	8144282
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-19.8
Dipole, Da:	4.05
IP(EA), eV:	-7.94(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)CN2CCN(CC2)C3=CC=CC=C3)CC=C

DOS

IR

Vibrations