Geometry & MOs

Info

ID:	281113
PubChem CID:	103905807
Reduced:	NOCl2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	295.106457
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	2.48
IP(EA), eV:	-9.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]oxolan-3-amine

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)Cl)Cl)NC2CCOC2C3CC3

DOS

IR

Vibrations