Geometry & MOs

Info

ID:	298940
PubChem CID:	117664415
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	398.210661
ΔH_f, kcal/mol:	-18.55
Dipole, Da:	2.55
IP(EA), eV:	-8.6(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dimethylphenyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indole

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CN2)C(=N1)NCC3[C@H]4[C@@H]3CN(C4)C(=O)CO

DOS

IR

Vibrations