Geometry & MOs

Info

ID:	261219
PubChem CID:	103222919
Reduced:	O2N6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	1.99
Dipole, Da:	5.08
IP(EA), eV:	-9.93(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminopropoxy)-2-[(3,4-dimethylphenyl)methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(COC1=CC(=O)N(N=C1)CC2=NC=NN2C)N

DOS

IR

Vibrations