Geometry & MOs

Info

ID:	327237
PubChem CID:	126689312
Reduced:	F3O3N4C23H23 (1)
Stoich.:	A3B3C4D23E23 (1)
Weight, g/mol:	514.219175
ΔH_f, kcal/mol:	-219.83
Dipole, Da:	4.18
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CN1CC[C@@H](C1=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCCO

DOS

IR

Vibrations