Geometry & MOs

Info

ID:	271358
PubChem CID:	103669327
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-5.4
Dipole, Da:	1.23
IP(EA), eV:	-9.63(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-propan-2-ylazepane-1-carbonyl)-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C/C=C/CCNC(=O)C(C)N1C=CC=N1

DOS

IR

Vibrations