Geometry & MOs

Info

ID:	43941
PubChem CID:	10322255
Reduced:	FON7C25H32 (1)
Stoich.:	ABC7D25E32 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	4.99
Dipole, Da:	11.95
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylmethyl)-5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)NC(=O)NC[C@H]2CCCN(C2)CCC3=CC=C(C=C3)F)C4=NN=NN4C

DOS

IR

Vibrations