Geometry & MOs

Info

ID:	307106
PubChem CID:	125267593
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-85.28
Dipole, Da:	3.51
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[(3R)-6-methoxy-3H-indol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C2C1=O)C(=O)NC[C@@H]3CCCN4[C@H]3CCCC4

DOS

IR

Vibrations