Geometry & MOs

Info

ID:	291887
PubChem CID:	113585172
Reduced:	ClON4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	313.04259
ΔH_f, kcal/mol:	1.13
Dipole, Da:	4.09
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[(3-methyloxolan-3-yl)amino]-2-prop-2-enylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(C=C)NC1=C(C(=O)N(N=C1)CCN(C)C)Cl

DOS

IR

Vibrations