Geometry & MOs

Info

ID:	261172
PubChem CID:	103221020
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-23.5
Dipole, Da:	2.84
IP(EA), eV:	-9.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethylamino)-2-[2-(azepan-1-yl)-2-oxoethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)N)CN2C(=O)C=C(C=N2)NCCN

DOS

IR

Vibrations