Geometry & MOs

Info

ID:	370791
PubChem CID:	127340575
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-38.03
Dipole, Da:	5.39
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations