Geometry & MOs

Info

ID:	136615
PubChem CID:	52074135
Reduced:	N3O3C23H34 (1)
Stoich.:	A3B3C23D34 (1)
Weight, g/mol:	507.273321
ΔH_f, kcal/mol:	-85.91
Dipole, Da:	6.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.114827
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations