Geometry & MOs

Info

ID:	45776
PubChem CID:	10517501
Reduced:	OC20H32 (1)
Stoich.:	AB20C32 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-72.21
Dipole, Da:	1.85
IP(EA), eV:	-9.16(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S,13S)-10-[(2S)-2-methoxypropyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

Drug info:

PubChemData

Smile

C[C@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2([C@H](CCC3(C)C)O)C)C=C

DOS

IR

Vibrations