Geometry & MOs

Info

ID:	438150
PubChem CID:	135227778
Reduced:	BrN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	193.157898
ΔH_f, kcal/mol:	-9.13
Dipole, Da:	6.42
IP(EA), eV:	-9.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-tert-butyl-3-methyl-3H-pyridazin-2-yl)-N-methylmethanimine

Drug info:

PubChemData

Smile

CC/C=C/C(=C(\C=C(/C)\Br)/NC(C1CCOCC1)C2=CC=CC=N2)/[N+](=O)[O-]

DOS

IR

Vibrations