Geometry & MOs

Info

ID:	341103
PubChem CID:	127263538
Reduced:	N3O5C26H41 (1)
Stoich.:	A3B5C26D41 (1)
Weight, g/mol:	328.085776
ΔH_f, kcal/mol:	-230.62
Dipole, Da:	6.0
IP(EA), eV:	-9.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylazetidin-2-yl)methanamine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C=O)N([C@H](CC(C)C)C(=O)N)C(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations