Geometry & MOs

Info

ID:	1442
PubChem CID:	4450
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	11.98
Dipole, Da:	2.33
IP(EA), eV:	-8.6(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine

Drug info:

PubChemData

Smile

CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3

DOS

IR

Vibrations