Geometry & MOs

Info

ID:	236970
PubChem CID:	92716517
Reduced:	FO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-127.13
Dipole, Da:	2.16
IP(EA), eV:	-9.09(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

Drug info:

PubChemData

Smile

C1CCC(C1)N2C[C@H](CC2=O)NC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations