Geometry & MOs

Info

ID:	169471
PubChem CID:	75107567
Reduced:	NO2S2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	475.096675
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	3.8
IP(EA), eV:	-8.4(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-carboxy-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-yl]azanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C(=CO2)C3N=C(SS3)C4=CC=CC=C4

DOS

IR

Vibrations