Geometry & MOs

Info

ID:	297678
PubChem CID:	117625454
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	7.53
Dipole, Da:	3.67
IP(EA), eV:	-8.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(2E)-2-[5-[(E)-2-(2-methylphenyl)ethenyl]-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]-2-pentyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(N1)C)N/N=C/2\C=CC=C(C2=O)CCC3=C(C=CC=C3C)C

DOS

IR

Vibrations