Geometry & MOs

Info

ID:	203944
PubChem CID:	79892842
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-16.47
Dipole, Da:	2.0
IP(EA), eV:	-8.0(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(2-methylcyclohexyl)methyl]-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

CC(C(C)(C)C)N(C)C1=NC2=C(C=CC=C2O1)N

DOS

IR

Vibrations