Geometry & MOs

Info

ID:	203952
PubChem CID:	79893504
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	29.27
Dipole, Da:	1.66
IP(EA), eV:	-8.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-1,3-benzoxazol-2-yl)amino]-N-propylpropanamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNC2=NC3=C(O2)C=C(C=C3)N

DOS

IR

Vibrations