Geometry & MOs

Info

ID:	46320
PubChem CID:	10523876
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	381.122164
ΔH_f, kcal/mol:	-45.73
Dipole, Da:	3.31
IP(EA), eV:	-9.55(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)COC(CN2C=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations