Geometry & MOs

Info

ID:	181475
PubChem CID:	76748198
Reduced:	ClN2O4C31H33 (1)
Stoich.:	AB2C4D31E33 (1)
Weight, g/mol:	428.164854
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	4.12
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydroimidazo[5,1-c][1,4]oxazin-8-one

Drug info:

PubChemData

Smile

CC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)OC(=O)NC6(CCCCC6=O)C7=CC=CC=C7Cl)C=C1

DOS

IR

Vibrations