Geometry & MOs

Info

ID:	261193
PubChem CID:	103221946
Reduced:	BrFON3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-10.08
Dipole, Da:	4.12
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]butanenitrile

Drug info:

PubChemData

Smile

C1CC1CNC2=CC(=O)N(N=C2)CC3=C(C(=CC=C3)F)Br

DOS

IR

Vibrations