Geometry & MOs

Info

ID:	283048
PubChem CID:	103955646
Reduced:	NO4C15H23 (1)
Stoich.:	AB4C15D23 (1)
Weight, g/mol:	293.10204
ΔH_f, kcal/mol:	-161.96
Dipole, Da:	4.02
IP(EA), eV:	-9.18(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(CCCOC)CCOC)O

DOS

IR

Vibrations