Geometry & MOs

Info

ID:	382796
PubChem CID:	134974146
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-33.55
Dipole, Da:	1.35
IP(EA), eV:	-9.35(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@](CCC1=CC=CC=C1)(CC=C)O

DOS

IR

Vibrations