Geometry & MOs

Info

ID:	245325
PubChem CID:	99443297
Reduced:	BrO4N6C20H21 (1)
Stoich.:	AB4C6D20E21 (1)
Weight, g/mol:	488.08077
ΔH_f, kcal/mol:	-26.87
Dipole, Da:	4.22
IP(EA), eV:	-9.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2S)-2-(3-bromophenoxy)propanoyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)NNC(=O)[C@@H](C)OC3=CC(=CC=C3)Br

DOS

IR

Vibrations