Geometry & MOs

Info

ID:	200886
PubChem CID:	79458208
Reduced:	N3C15H31 (1)
Stoich.:	A3B15C31 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-44.64
Dipole, Da:	3.33
IP(EA), eV:	-8.5(2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC(CC1)NC2CCCC(C2)N

DOS

IR

Vibrations