Geometry & MOs

Info

ID:	132754
PubChem CID:	51413237
Reduced:	SN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	386.203251
ΔH_f, kcal/mol:	-0.9
Dipole, Da:	5.96
IP(EA), eV:	-8.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R,4R)-2-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)-2,3,4,10-tetrahydro-1H-pyrimido[1,2-a]benzimidazol-5-ium

Drug info:

PubChemData

Smile

C1CNC(=CC(=S)NC2=CC=CC=C2)C3=CC4=C(C=C31)OCO4

DOS

IR

Vibrations