Geometry & MOs

Info

ID:	230307
PubChem CID:	87570624
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	167.094629
ΔH_f, kcal/mol:	-154.22
Dipole, Da:	7.21
IP(EA), eV:	-8.12(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylbutylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC(=NOCCCCC1COC(OC1)(C)C(=O)O)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations