Geometry & MOs

Info

ID:	388448
PubChem CID:	134989199
Reduced:	ON2H8C14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	159.079442
ΔH_f, kcal/mol:	127.48
Dipole, Da:	3.65
IP(EA), eV:	-10.03(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-deuterio-4-methyl-3-benzoxepine

Drug info:

PubChemData

Smile

C1=CC2C3(O2)C4C=CC(C3=C1)C(=C4C#N)C#N

DOS

IR

Vibrations