Geometry & MOs

Info

ID:	247112
PubChem CID:	103067847
Reduced:	ClON2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	237.092042
ΔH_f, kcal/mol:	-40.66
Dipole, Da:	2.9
IP(EA), eV:	-8.73(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(chloromethyl)prop-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepine

Drug info:

PubChemData

Smile

C=C(CN1CCC(C1)N2CCOCC2)CCl

DOS

IR

Vibrations