Geometry & MOs

Info

ID:	194310
PubChem CID:	78513639
Reduced:	N3O5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	411.131802
ΔH_f, kcal/mol:	-251.18
Dipole, Da:	7.03
IP(EA), eV:	-9.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyloxy]acetyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CN2C(=O)C(NC2=O)(C)C3CCCCC3

DOS

IR

Vibrations