Geometry & MOs

Info

ID:	155372
PubChem CID:	56352994
Reduced:	S2O3N4C23H28 (1)
Stoich.:	A2B3C4D23E28 (1)
Weight, g/mol:	425.206304
ΔH_f, kcal/mol:	-46.24
Dipole, Da:	2.83
IP(EA), eV:	-8.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N'-[5-(diethylaminomethyl)furan-2-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C(C)N3C(=NNC3=S)C4=CC=CS4

DOS

IR

Vibrations