Geometry & MOs

Info

ID:	171748
PubChem CID:	75422782
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	338.03784
ΔH_f, kcal/mol:	42.35
Dipole, Da:	10.3
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C/C(=C/C(=O)NC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N)/C(C)(C)C

DOS

IR

Vibrations