Geometry & MOs

Info

ID:	195808
PubChem CID:	78733100
Reduced:	O2F3N3C20H23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	407.136887
ΔH_f, kcal/mol:	-198.19
Dipole, Da:	6.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.954911
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+](C)CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations