Geometry & MOs

Info

ID:	390231
PubChem CID:	134997884
Reduced:	NO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	282.089209
ΔH_f, kcal/mol:	-184.83
Dipole, Da:	2.06
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxybenzo[b][1]benzoxepine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C\1=C(C2=CC=CC=C2N(C(=O)/C1=C(/O)\OCC)C)O

DOS

IR

Vibrations