Geometry & MOs

Info

ID:	391990
PubChem CID:	135011738
Reduced:	LiO3C7H11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	539.278407
ΔH_f, kcal/mol:	-119.59
Dipole, Da:	7.97
IP(EA), eV:	-8.57(1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[1-[benzyl-[2-(1-methylindol-3-yl)ethyl]amino]-2-hydroxy-1-oxobut-3-en-2-yl]phenyl]carbamate

Drug info:

PubChemData

Smile

[Li+].CC1=C(OC1(C)COC)[O-]

DOS

IR

Vibrations