Geometry & MOs

Info

ID:	122405
PubChem CID:	50805213
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	391.08954
ΔH_f, kcal/mol:	-62.83
Dipole, Da:	4.78
IP(EA), eV:	-8.4(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)OC)NC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N4C2=CC=C4

DOS

IR

Vibrations