Geometry & MOs

Info

ID:	438542
PubChem CID:	135228285
Reduced:	ON4C7H10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	415.25834
ΔH_f, kcal/mol:	35.28
Dipole, Da:	2.13
IP(EA), eV:	-7.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4R)-1-(carbamoylamino)-6-methyl-5-oxoheptan-4-yl]-2-(ethylamino)-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N)N=NN

DOS

IR

Vibrations