Geometry & MOs

Info

ID:	61173
PubChem CID:	26706616
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	422.175419
ΔH_f, kcal/mol:	-104.02
Dipole, Da:	5.51
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3CCCC3=O

DOS

IR

Vibrations