Geometry & MOs

Info

ID:	51324
PubChem CID:	12013971
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	305.199094
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	1.36
IP(EA), eV:	-8.24(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC[C@H]1CC[C@@H](N1C2=C[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4)COC

DOS

IR

Vibrations