Geometry & MOs

Info

ID:	73439
PubChem CID:	48417702
Reduced:	O2F3N3C20H26 (1)
Stoich.:	A2B3C3D20E26 (1)
Weight, g/mol:	382.119654
ΔH_f, kcal/mol:	-216.9
Dipole, Da:	3.85
IP(EA), eV:	-9.11(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)C(=O)CNC(=O)C3CC3

DOS

IR

Vibrations