Geometry & MOs

Info

ID:	64868
PubChem CID:	29204125
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-113.32
Dipole, Da:	6.92
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3)C

DOS

IR

Vibrations