Geometry & MOs

Info

ID:	185362
PubChem CID:	77289053
Reduced:	F3N4O4H13C18 (1)
Stoich.:	A3B4C4D13E18 (1)
Weight, g/mol:	406.088889
ΔH_f, kcal/mol:	-161.21
Dipole, Da:	10.06
IP(EA), eV:	-9.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-nitro-7-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl] carbamate

Drug info:

PubChemData

Smile

C1C(C(CN2C1=NC3=C2C=CC(=C3)[N+](=O)[O-])OC(=O)N)C4=CC(=C(C=C4F)F)F

DOS

IR

Vibrations