Geometry & MOs

Info

ID:	283994
PubChem CID:	104024740
Reduced:	NOCl2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	273.092042
ΔH_f, kcal/mol:	-5.86
Dipole, Da:	3.75
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)C3=C(C(=CC=C3)Cl)CCl

DOS

IR

Vibrations