Geometry & MOs

Info

ID:	175637
PubChem CID:	75929473
Reduced:	FO2N5C20H29 (1)
Stoich.:	AB2C5D20E29 (1)
Weight, g/mol:	389.222703
ΔH_f, kcal/mol:	-64.36
Dipole, Da:	2.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752198
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)C3=NN(C(=O)CC3)C

DOS

IR

Vibrations