Geometry & MOs

Info

ID:	204427
PubChem CID:	79965259
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	8.15
Dipole, Da:	2.18
IP(EA), eV:	-8.48(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-amino-1,3-benzoxazol-2-yl)methyl]azepan-2-one

Drug info:

PubChemData

Smile

CN1CCCC1CN(C)CC2=NC3=C(O2)C=CC(=C3)N

DOS

IR

Vibrations