Geometry & MOs

Info

ID:	309423
PubChem CID:	126546163
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	3.94
IP(EA), eV:	-8.6(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,9-dimethyl-1,3,4,5-tetrahydro-2-benzoxepine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CN=C1)NC2CCN(CC2)C(=O)C

DOS

IR

Vibrations