Geometry & MOs

Info

ID:	307566
PubChem CID:	125307522
Reduced:	O2S2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	5.95
Dipole, Da:	2.21
IP(EA), eV:	-9.1(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,4-dihydropyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C3)SC2

DOS

IR

Vibrations