Geometry & MOs

Info

ID:	261171
PubChem CID:	103220983
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	36.63
Dipole, Da:	5.88
IP(EA), eV:	-8.43(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)CN3C(=O)C=C(C=N3)NCCN

DOS

IR

Vibrations