Geometry & MOs

Info

ID:	164100
PubChem CID:	74382004
Reduced:	N2O2C14H17 (2)
Stoich.:	A2B2C14D17 (2)
Weight, g/mol:	459.273321
ΔH_f, kcal/mol:	-64.49
Dipole, Da:	5.44
IP(EA), eV:	-9.19(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[4-[[2-hydroxy-2-(8-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]acetate

Drug info:

PubChemData

Smile

C1CN(CCC1NCC(C2=CC=C(C3=NC(=O)C=CC23)O)O)CCC(=O)NC4CC4C5=CC=CC=C5

DOS

IR

Vibrations