Geometry & MOs

Info

ID:	245324
PubChem CID:	99443296
Reduced:	ON3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	488.08077
ΔH_f, kcal/mol:	-5.65
Dipole, Da:	5.52
IP(EA), eV:	-8.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)C)C

DOS

IR

Vibrations