Geometry & MOs

Info

ID:	364564
PubChem CID:	127315816
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	18.49
Dipole, Da:	4.81
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,7-dimethyl-1,4-diazepan-1-yl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C(=NC=N2)NCCN3C=CC=CC3=O

DOS

IR

Vibrations