Geometry & MOs

Info

ID:	136611
PubChem CID:	52073946
Reduced:	N3O5C29H37 (1)
Stoich.:	A3B5C29D37 (1)
Weight, g/mol:	502.294391
ΔH_f, kcal/mol:	-146.87
Dipole, Da:	6.41
IP(EA), eV:	-8.31(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=CC=C4OC)C)OCC

DOS

IR

Vibrations