Geometry & MOs

Info

ID:	308671
PubChem CID:	126522367
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	336.060943
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	3.43
IP(EA), eV:	-8.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-difluoro-4-(2-fluoro-4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2C3CCCN(C3)C(=O)C4CCCC4

DOS

IR

Vibrations