Geometry & MOs

Info

ID:	195934
PubChem CID:	78751306
Reduced:	NO7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	417.097915
ΔH_f, kcal/mol:	-210.65
Dipole, Da:	8.35
IP(EA), eV:	-8.35(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC3=C(C(=C2)OC)OCCO3

DOS

IR

Vibrations