Geometry & MOs

Info

ID:	204423
PubChem CID:	79963962
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	3.28
Dipole, Da:	1.3
IP(EA), eV:	-8.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-1,3-benzoxazol-2-yl)methyl-methylamino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)CC2=NC3=C(O2)C=CC(=C3)N

DOS

IR

Vibrations