Geometry & MOs

Info

ID:	188206
PubChem CID:	77681247
Reduced:	BrON4C17H27 (1)
Stoich.:	ABC4D17E27 (1)
Weight, g/mol:	682.298338
ΔH_f, kcal/mol:	-2.64
Dipole, Da:	3.96
IP(EA), eV:	-8.85(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[[4-(4-benzyl-2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid;trihydrochloride

Drug info:

PubChemData

Smile

CN(C)CC=CCOC1CCC(CC1)CNC2=NC=C(C=N2)Br

DOS

IR

Vibrations