Geometry & MOs

Info

ID:	178358
PubChem CID:	76315097
Reduced:	ClOS2N5H14C18 (1)
Stoich.:	ABC2D5E14F18 (1)
Weight, g/mol:	336.12224
ΔH_f, kcal/mol:	93.16
Dipole, Da:	6.25
IP(EA), eV:	-7.71(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-methyl-3-[4-[(4-nitrophenyl)methylideneamino]phenyl]-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NN=C(S2)NC3=NC(=CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations