Geometry & MOs

Info

ID:	197364
PubChem CID:	78956855
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-37.65
Dipole, Da:	2.18
IP(EA), eV:	-10.0(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[[(3-methyloxetan-3-yl)methylamino]methyl]aniline

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)C2=CC(=CN=C2)Br

DOS

IR

Vibrations