Geometry & MOs

Info

ID:	139465
PubChem CID:	52536086
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	385.126026
ΔH_f, kcal/mol:	-9.95
Dipole, Da:	1.86
IP(EA), eV:	-8.61(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C)C)CN2CC[C@@H]2C3=CC=CC=C3)O

DOS

IR

Vibrations