Geometry & MOs

Info

ID:	207865
PubChem CID:	80462767
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-8.29
Dipole, Da:	4.11
IP(EA), eV:	-9.04(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=CC(=NO2)CNC(C)(C)C)C

DOS

IR

Vibrations