Geometry & MOs

Info

ID:	448832
PubChem CID:	135293878
Reduced:	OPN6H17C18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	302.082205
ΔH_f, kcal/mol:	76.27
Dipole, Da:	6.13
IP(EA), eV:	-8.84(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(4-chloro-2-methylpyrazol-3-yl)methylidene]-5-methoxy-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C2=NC=NC3=C2NC=N3)POC4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations