Geometry & MOs

Info

ID:	136054
PubChem CID:	51972085
Reduced:	O2N5C19H24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	299.139567
ΔH_f, kcal/mol:	-27.37
Dipole, Da:	6.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.965554
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-(2-methylindol-1-yl)acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCC(=O)NC3=CC=CC=N3

DOS

IR

Vibrations