Geometry & MOs

Info

ID:	242278
PubChem CID:	96099810
Reduced:	F3N4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	298.140531
ΔH_f, kcal/mol:	-117.02
Dipole, Da:	7.87
IP(EA), eV:	-9.31(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzimidazol-2-yl]methanamine

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1[C@@H]3CCNC3)C=CC(=C2)C(F)(F)F

DOS

IR

Vibrations