Geometry & MOs

Info

ID:	431105
PubChem CID:	135171175
Reduced:	OSN5C23H29 (1)
Stoich.:	ABC5D23E29 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	47.02
Dipole, Da:	6.54
IP(EA), eV:	-8.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-1-N-(1,3-benzoxazol-6-ylmethyl)-3-N-ethylcyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=NN=C(S2)C3CC3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations