Geometry & MOs

Info

ID:	204673
PubChem CID:	79996051
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	3.87
IP(EA), eV:	-8.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methoxyethyl)amino]propanenitrile

Drug info:

PubChemData

Smile

CNC(=O)CN(C)CC1=NC2=C(C=CC=C2O1)N

DOS

IR

Vibrations