Geometry & MOs

Info

ID:	318785
PubChem CID:	126653235
Reduced:	NOC26H37 (1)
Stoich.:	ABC26D37 (1)
Weight, g/mol:	231.121906
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	2.78
IP(EA), eV:	-8.74(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpentan-2-yl)-3,3-dinitroazetidine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[C@H](CCCN2CCC(CC2)CC3=CC=CC=C3)O

DOS

IR

Vibrations