Geometry & MOs

Info

ID:	136607
PubChem CID:	52072956
Reduced:	BrN4O4C24H31 (1)
Stoich.:	AB4C4D24E31 (1)
Weight, g/mol:	523.268236
ΔH_f, kcal/mol:	-124.12
Dipole, Da:	4.2
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=C(C=CC(=C2)Br)OC)CN3CCC(CC3)C(=O)N4CCN(CC4)C(=O)C

DOS

IR

Vibrations