Geometry & MOs

Info

ID:	124995
PubChem CID:	50906696
Reduced:	NO2H23C25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	3.67
IP(EA), eV:	-8.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(R)-[(2-methyl-1H-indol-5-yl)amino]-pyridin-4-ylmethyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCC(=O)[C@@H](C1)[C@H](C2=CC3=CC=CC=C3O2)NC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations