Geometry & MOs

Info

ID:	137230
PubChem CID:	52173365
Reduced:	O2N3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-19.79
Dipole, Da:	2.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.141210
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[NH+]2CCC(CC2)NC(=O)CC3=C(OC(=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations