Geometry & MOs

Info

ID:	294134
PubChem CID:	117427485
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-114.81
Dipole, Da:	5.69
IP(EA), eV:	-9.0(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-N-methoxymethanamine

Drug info:

PubChemData

Smile

CC(CC=O)C1=C(C=CC(=C1NC(=O)C)OC)Cl

DOS

IR

Vibrations