Geometry & MOs

Info

ID:	446447
PubChem CID:	135275034
Reduced:	FO2N7H26C27 (1)
Stoich.:	AB2C7D26E27 (1)
Weight, g/mol:	295.251129
ΔH_f, kcal/mol:	-5.48
Dipole, Da:	3.83
IP(EA), eV:	-8.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-[(2-pentyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]oxiran-2-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5)C6=NN=C7N6C=CC=C7

DOS

IR

Vibrations