Geometry & MOs

Info

ID:	159736
PubChem CID:	57288683
Reduced:	ClON3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	479.257277
ΔH_f, kcal/mol:	43.06
Dipole, Da:	7.74
IP(EA), eV:	-9.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl)-[(2R,4S)-2-[(R)-hydroxy(phenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=NN=C2CCl)C)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations