Geometry & MOs

Info

ID:	53772
PubChem CID:	14717899
Reduced:	O2N3C28H56 (1)
Stoich.:	A2B3C28D56 (1)
Weight, g/mol:	268.193949
ΔH_f, kcal/mol:	-151.67
Dipole, Da:	8.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754949
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1,2-bis(3,4-dimethylphenyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CN1CCCC1=O

DOS

IR

Vibrations