Geometry & MOs

Info

ID:	195529
PubChem CID:	78695687
Reduced:	FNO5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	425.183838
ΔH_f, kcal/mol:	-186.36
Dipole, Da:	7.16
IP(EA), eV:	-9.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)C(=O)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations