Geometry & MOs

Info

ID:	169498
PubChem CID:	75112004
Reduced:	NOC11H15 (3)
Stoich.:	ABC11D15 (3)
Weight, g/mol:	546.259068
ΔH_f, kcal/mol:	-122.86
Dipole, Da:	5.02
IP(EA), eV:	-8.42(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1H-indol-3-yl)-2-[[1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1(CC(C2(C1CC(CC2)(C)O)CCC(=O)NCCC3=CNC4=CC=CC=C43)NCC5=CC=CC=C5OC)C

DOS

IR

Vibrations