Geometry & MOs

Info

ID:	169469
PubChem CID:	75107365
Reduced:	SN5O13C27H37 (1)
Stoich.:	AB5C13D27E37 (1)
Weight, g/mol:	385.101366
ΔH_f, kcal/mol:	-371.3
Dipole, Da:	9.05
IP(EA), eV:	-8.25(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)OC(=O)C3=C(C=CC=C3OCCO[N+](=O)[O-])OC.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations