Geometry & MOs

Info

ID:	437158
PubChem CID:	135215324
Reduced:	BrN2H17C22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	93.84
Dipole, Da:	5.45
IP(EA), eV:	-9.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-6-methyl-2,3,4,5-tetrahydrooxepine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C2=CC=CC=C2)N3C=CN=C3Br)C4=CC=CC=C4

DOS

IR

Vibrations