Geometry & MOs

Info

ID:	380814
PubChem CID:	134971379
Reduced:	N2C17H19 (1)
Stoich.:	A2B17C19 (1)
Weight, g/mol:	351.083076
ΔH_f, kcal/mol:	58.25
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.217468
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-1-ethoxy-4,4,4-trifluoro-3-oxobut-1-enyl]pyrimido[1,2-a]benzimidazol-2-one

Drug info:

PubChemData

Smile

C[N+]1(CCN2C1C3=CC=CC=C3C4=CC=CC=C42)C

DOS

IR

Vibrations