Geometry & MOs

Info

ID:	79591
PubChem CID:	49829649
Reduced:	NO4C24H39 (1)
Stoich.:	AB4C24D39 (1)
Weight, g/mol:	415.153206
ΔH_f, kcal/mol:	-212.33
Dipole, Da:	7.55
IP(EA), eV:	-9.24(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-phenylprop-2-enoylamino)methyl]-5-(pyridine-4-carbonylamino)benzoate

Drug info:

PubChemData

Smile

C[C@]12CCC[C@@]([C@@]1(CC3C(C2)OC(=O)C3CNCCC4=CCCCC4)O)(C)OC

DOS

IR

Vibrations