Geometry & MOs

Info

ID:	258975
PubChem CID:	103157668
Reduced:	SO2N4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	0.1
Dipole, Da:	2.66
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(3,4-dihydro-2H-chromen-4-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC2=NOC(=N2)CC(CN)OC

DOS

IR

Vibrations