Geometry & MOs

Info

ID:	204424
PubChem CID:	79964303
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	40.69
Dipole, Da:	4.61
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(pentyl)amino]methyl]-1,3-benzoxazol-5-amine

Drug info:

PubChemData

Smile

CN(CCC#N)CC1=NC2=C(O1)C=CC(=C2)N

DOS

IR

Vibrations