Geometry & MOs

Info

ID:	156514
PubChem CID:	56370937
Reduced:	N4O5C25H28 (1)
Stoich.:	A4B5C25D28 (1)
Weight, g/mol:	462.251858
ΔH_f, kcal/mol:	-45.56
Dipole, Da:	7.33
IP(EA), eV:	-8.43(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations