Geometry & MOs

Info

ID:	305395
PubChem CID:	124807105
Reduced:	ON4C23H36 (1)
Stoich.:	AB4C23D36 (1)
Weight, g/mol:	513.271545
ΔH_f, kcal/mol:	-42.66
Dipole, Da:	5.42
IP(EA), eV:	-8.65(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)[C@@H]1CCCN(C1)CC2=NC3=CC=CC=C3N2C(C)C

DOS

IR

Vibrations