Geometry & MOs

Info

ID:	169801
PubChem CID:	75150967
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	37.35
Dipole, Da:	10.33
IP(EA), eV:	-8.27(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazin-4-one

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CCCN4C3=NOC5C4CNC5)OC

DOS

IR

Vibrations