Geometry & MOs

Info

ID:	127538
PubChem CID:	51005510
Reduced:	NOC20H29 (1)
Stoich.:	ABC20D29 (1)
Weight, g/mol:	199.076392
ΔH_f, kcal/mol:	-28.1
Dipole, Da:	1.53
IP(EA), eV:	-8.86(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,8R)-8-chloro-1-methylbicyclo[3.2.1]oct-6-ene-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC=C1)OC2C[C@H]3CC[C@H](C2)N3CC=C

DOS

IR

Vibrations