Geometry & MOs

Info

ID:	312667
PubChem CID:	126607246
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	430.16166
ΔH_f, kcal/mol:	-40.37
Dipole, Da:	1.55
IP(EA), eV:	-8.22(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-4-(2,2,2-trifluoroacetyl)benzamide

Drug info:

PubChemData

Smile

CCC1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations