Geometry & MOs

Info

ID:	203545
PubChem CID:	79843392
Reduced:	BrN3O4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	-74.3
Dipole, Da:	6.24
IP(EA), eV:	-9.53(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[cyclobutylmethyl(methyl)amino]ethyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CCNC(C)(COC1=C(C=C(C=C1C)Br)[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations