Geometry & MOs

Info

ID:	147960
PubChem CID:	53787621
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	318.04801
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	1.82
IP(EA), eV:	-8.51(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-6-phenyl-3H-pyridazin-2-yl)-2-bromobutanenitrile

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1OCCO

DOS

IR

Vibrations