Geometry & MOs

Info

ID:	51323
PubChem CID:	12013970
Reduced:	OS2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-8.19
Dipole, Da:	3.77
IP(EA), eV:	-9.17(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S,7R)-4-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)[C@]4(SS4=O)C5=CC=CC=C5

DOS

IR

Vibrations