Geometry & MOs

Info

ID:	59629
PubChem CID:	24890651
Reduced:	N3O6C21H23 (2)
Stoich.:	A3B6C21D23 (2)
Weight, g/mol:	203.092184
ΔH_f, kcal/mol:	-427.87
Dipole, Da:	7.26
IP(EA), eV:	-8.26(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine

Drug info:

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)CCC(=O)N[C@@H](CC(=O)O)C(=O)O)C)C)C=C)C

DOS

IR

Vibrations