Geometry & MOs

Info

ID:	394095
PubChem CID:	135022317
Reduced:	N2O5C19H28 (1)
Stoich.:	A2B5C19D28 (1)
Weight, g/mol:	344.162374
ΔH_f, kcal/mol:	-236.02
Dipole, Da:	2.22
IP(EA), eV:	-9.67(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(7-phenyl-2,3-dihydrooxepin-4-yl)methyl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H](C[C@H](C1)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations