Geometry & MOs

Info

ID:	156137
PubChem CID:	56369288
Reduced:	O5N6C23H24 (1)
Stoich.:	A5B6C23D24 (1)
Weight, g/mol:	407.170588
ΔH_f, kcal/mol:	-45.39
Dipole, Da:	5.02
IP(EA), eV:	-9.38(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

C1CC1N2C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4CCN(CC4)C5=NC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations