Geometry & MOs

Info

ID:	64869
PubChem CID:	29204126
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	6.26
IP(EA), eV:	-8.5(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(1-methylindol-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=CN(C3=CC=CC=C32)C)C

DOS

IR

Vibrations