Geometry & MOs

Info

ID:	129555
PubChem CID:	51073074
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-135.12
Dipole, Da:	4.28
IP(EA), eV:	-8.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-imidazol-1-ylphenyl)ethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations