Geometry & MOs

Info

ID:	355364
PubChem CID:	127288360
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-55.79
Dipole, Da:	6.24
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(6-methylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations