Geometry & MOs

Info

ID:	343305
PubChem CID:	127266478
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	366.132805
ΔH_f, kcal/mol:	-18.41
Dipole, Da:	8.38
IP(EA), eV:	-8.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(4-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)N/C=C/3\C(=NC4=CC=CC=C43)C

DOS

IR

Vibrations