Geometry & MOs

Info

ID:	271484
PubChem CID:	103680734
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	270.097998
ΔH_f, kcal/mol:	-45.7
Dipole, Da:	3.12
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methyloxetan-3-yl)methylamino]-3-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

COC1CCCN(C1)C2=NC3=CC=CC=C3C=C2CO

DOS

IR

Vibrations