Geometry & MOs

Info

ID:	400025
PubChem CID:	135044604
Reduced:	NH5C6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	95.95
Dipole, Da:	1.49
IP(EA), eV:	-8.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R)-2-ethoxy-4-nitrocyclobutyl]benzene

Drug info:

PubChemData

Smile

[C-]#[N+]CC1=C(C=CN1)C2=CC=CC=C2

DOS

IR

Vibrations