Geometry & MOs

Info

ID:	189961
PubChem CID:	77933121
Reduced:	O6N8H44C49 (1)
Stoich.:	A6B8C44D49 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-14.9
Dipole, Da:	4.34
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C2C1N(C(C2)C3=NC4=C(N3)C=C(C=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N=C(N7)C8CC9CC9N8C(=O)C(C1=CC=CC=C1)NC(=O)O)C(=O)C(C1=CC=CC=C1)NC1OCO1

DOS

IR

Vibrations