Geometry & MOs

Info

ID:	132649
PubChem CID:	51393047
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	389.141379
ΔH_f, kcal/mol:	-20.6
Dipole, Da:	5.97
IP(EA), eV:	-8.51(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC3=NC=NN3[C@H](C2)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations