Geometry & MOs

Info

ID:	291845
PubChem CID:	113585021
Reduced:	ClO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	302.03784
ΔH_f, kcal/mol:	-27.9
Dipole, Da:	1.34
IP(EA), eV:	-8.89(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CC(CC(C)O)NC1=C(C=NN(C1=O)CC#C)Cl

DOS

IR

Vibrations