Geometry & MOs

Info

ID:	40518
PubChem CID:	8144261
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-97.28
Dipole, Da:	2.88
IP(EA), eV:	-8.35(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations