Geometry & MOs

Info

ID:	37289
PubChem CID:	8019156
Reduced:	ON3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	411.168188
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	2.15
IP(EA), eV:	-8.75(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=O)[C@@H](C)[NH2+]CC[NH+](C)C

DOS

IR

Vibrations