Geometry & MOs

Info

ID:	302467
PubChem CID:	124361866
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	391.129884
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	6.01
IP(EA), eV:	-9.19(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4CN3

DOS

IR

Vibrations