Geometry & MOs

Info

ID:	379513
PubChem CID:	134438230
Reduced:	PC2N2O2H6 (1)
Stoich.:	AB2C2D2E6 (1)
Weight, g/mol:	314.196983
ΔH_f, kcal/mol:	-67.05
Dipole, Da:	1.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777484
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4S)-1-N-ethyl-2-N,2-N-dimethyl-4-[4-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CO[P+](=O)C(=N)N

DOS

IR

Vibrations