Geometry & MOs

Info

ID:	249701
PubChem CID:	103091433
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-53.68
Dipole, Da:	1.26
IP(EA), eV:	-8.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC(=C(C(=C1)Cl)OC)OC)N

DOS

IR

Vibrations