Geometry & MOs

Info

ID:	305445
PubChem CID:	124807273
Reduced:	ClON5C28H36 (1)
Stoich.:	ABC5D28E36 (1)
Weight, g/mol:	493.260838
ΔH_f, kcal/mol:	2.18
Dipole, Da:	4.06
IP(EA), eV:	-8.6(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)[C@@H]2CCCN(C2)CC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations