Geometry & MOs

Info

ID:	178691
PubChem CID:	76368838
Reduced:	FO2N3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	397.188923
ΔH_f, kcal/mol:	-23.44
Dipole, Da:	5.11
IP(EA), eV:	-8.55(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 10-(3-phenylmethoxypropoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(C3C(NNC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations