Geometry & MOs

Info

ID:

84325

PubChem CID:

49865780

Reduced:

NPO5C26H42 (1)

Stoich.:

ABC5D26E42 (1)

Weight, g/mol:

459.207053

ΔHf, kcal/mol:

-288.97

Dipole, Da:

15.88

IP(EA), eV:

 -9.1(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-one

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOP(=O)([O-])OCCC12CC3CC(C1)CC(C3)(C2)CCOCC4=CC=CC=C4

DOS

IR

Vibrations