Geometry & MOs

Info

ID:	355365
PubChem CID:	127288361
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	344.159689
ΔH_f, kcal/mol:	-43.21
Dipole, Da:	9.23
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C(=O)C3CCC(=O)N3

DOS

IR

Vibrations