Geometry & MOs

Info

ID:	79496
PubChem CID:	49786835
Reduced:	N2F3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	454.283158
ΔH_f, kcal/mol:	-227.67
Dipole, Da:	6.98
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-[[2-(butylcarbamoyl)-2-methylazepan-1-yl]methyl]-4-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CCN1CC2=C(C(=CC=C2)OC)OC)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations