Geometry & MOs

Info

ID:	244028
PubChem CID:	99309418
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	484.211055
ΔH_f, kcal/mol:	-58.6
Dipole, Da:	5.33
IP(EA), eV:	-9.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)NC4CCN(CC4)C(=O)CC5=CC(=CC=C5)OC

DOS

IR

Vibrations