Geometry & MOs

Info

ID:	258260
PubChem CID:	103152364
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	242.160598
ΔH_f, kcal/mol:	-153.51
Dipole, Da:	4.15
IP(EA), eV:	-9.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(=O)NCC(CC(=O)O)OC)C

DOS

IR

Vibrations