Geometry & MOs

Info

ID:	27585
PubChem CID:	822330
Reduced:	FNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-41.65
Dipole, Da:	5.06
IP(EA), eV:	-8.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)F)N3CCCC3

DOS

IR

Vibrations