Geometry & MOs

Info

ID:	194459
PubChem CID:	78540299
Reduced:	FNO6H14C17 (1)
Stoich.:	ABC6D14E17 (1)
Weight, g/mol:	371.116901
ΔH_f, kcal/mol:	-176.43
Dipole, Da:	5.02
IP(EA), eV:	-9.95(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[3-(3-fluorophenyl)prop-2-enoyloxy]acetyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations