Geometry & MOs

Info

ID:	208302
PubChem CID:	80516691
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-12.82
Dipole, Da:	3.48
IP(EA), eV:	-9.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethyl-3-(1,4-oxazepan-4-yl)pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(C)C2=C(C=CN=N2)C(=O)O

DOS

IR

Vibrations