Geometry & MOs

Info

ID:	185361
PubChem CID:	77289052
Reduced:	N4O7C43H44 (1)
Stoich.:	A4B7C43D44 (1)
Weight, g/mol:	406.088889
ΔH_f, kcal/mol:	-84.58
Dipole, Da:	8.25
IP(EA), eV:	-8.75(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-nitro-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-yl] carbamate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)OCC2=C(CC3CN(CC2N3)C(=O)C4=NC5=CC=CC=C5N=C4)C6=CC=C(C=C6)OCCCOCC7=CC=CC=C7OC

DOS

IR

Vibrations