Geometry & MOs

Info

ID:	294427
PubChem CID:	117460413
Reduced:	ClNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	285.113171
ΔH_f, kcal/mol:	-123.99
Dipole, Da:	1.64
IP(EA), eV:	-8.43(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methoxymethanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(CO)N)Cl)OC2CCCC2

DOS

IR

Vibrations