Geometry & MOs

Info

ID:	136613
PubChem CID:	52074133
Reduced:	N3O3C22H32 (1)
Stoich.:	A3B3C22D32 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	6.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039364
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)OC)C[NH+]3CCC(CC3)C(=O)NC(C)(C)C

DOS

IR

Vibrations