Geometry & MOs

Info

ID:	435504
PubChem CID:	135191647
Reduced:	F3N5C21H28 (1)
Stoich.:	A3B5C21D28 (1)
Weight, g/mol:	144.137497
ΔH_f, kcal/mol:	-64.44
Dipole, Da:	5.06
IP(EA), eV:	-8.15(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyltriazetidin-2-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCN(CNCC(F)(F)F)NC1=C(C(=C)/C(=C/C2=CNC(=C2/C=C\C)N)/C1)C=C

DOS

IR

Vibrations