Geometry & MOs

Info

ID:	163612
PubChem CID:	58097986
Reduced:	SN4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	537.24277
ΔH_f, kcal/mol:	70.03
Dipole, Da:	5.1
IP(EA), eV:	-8.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,2S)-2-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-9-oxofluorene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C[C@H]2C[C@@H]2CN)C3=NSC4=CC=CC=C43

DOS

IR

Vibrations