Geometry & MOs

Info

ID:	261121
PubChem CID:	103218699
Reduced:	ClION2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	276.102254
ΔH_f, kcal/mol:	4.32
Dipole, Da:	3.24
IP(EA), eV:	-8.39(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)I)Cl)N

DOS

IR

Vibrations