Geometry & MOs

Info

ID:	249776
PubChem CID:	103092013
Reduced:	N2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	31.31
Dipole, Da:	2.7
IP(EA), eV:	-8.37(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CNC=C1)NC

DOS

IR

Vibrations