Geometry & MOs

Info

ID:	371089
PubChem CID:	127342491
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-63.52
Dipole, Da:	7.5
IP(EA), eV:	-9.34(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(C)NC(=O)N2CCCC2C3CCC3

DOS

IR

Vibrations