Geometry & MOs

Info

ID:	147387
PubChem CID:	53787043
Reduced:	N4O5C14H14 (1)
Stoich.:	A4B5C14D14 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-71.16
Dipole, Da:	1.96
IP(EA), eV:	-9.7(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CN2C=CN=C2[N+](=O)[O-]

DOS

IR

Vibrations