Geometry & MOs

Info

ID:	395540
PubChem CID:	135025729
Reduced:	BrLiC7H10 (1)
Stoich.:	ABC7D10 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	6.9
Dipole, Da:	6.38
IP(EA), eV:	-8.09(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-6-[(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

[Li+].C1CCC(=[C-]Br)CC1

DOS

IR

Vibrations