Geometry & MOs

Info

ID:	37217
PubChem CID:	8018360
Reduced:	N3O4H17C20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	405.102394
ΔH_f, kcal/mol:	-48.24
Dipole, Da:	9.76
IP(EA), eV:	-9.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations