Geometry & MOs

Info

ID:	243662
PubChem CID:	99233738
Reduced:	BrO3N4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-103.6
Dipole, Da:	4.69
IP(EA), eV:	-9.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-(6-methyl-1H-indole-2-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCC[C@@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations