Geometry & MOs

Info

ID:	165151
PubChem CID:	74506324
Reduced:	N3O3C29H38 (1)
Stoich.:	A3B3C29D38 (1)
Weight, g/mol:	475.283492
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	5.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.186929
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NO2)CC3C[NH2+]CCC3CC(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations