Geometry & MOs

Info

ID:	238736
PubChem CID:	92765320
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	248.13472
ΔH_f, kcal/mol:	-59.66
Dipole, Da:	4.29
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1,4-diazepane

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CN3CCN(CC3)CCO

DOS

IR

Vibrations