Geometry & MOs

Info

ID:	221352
PubChem CID:	85267808
Reduced:	SN3O6C18H21 (1)
Stoich.:	AB3C6D18E21 (1)
Weight, g/mol:	407.137814
ΔH_f, kcal/mol:	-91.54
Dipole, Da:	5.64
IP(EA), eV:	-9.7(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NO)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations