Geometry & MOs

Info

ID:	127498
PubChem CID:	51004256
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	3.63
IP(EA), eV:	-9.43(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-1,13,13-trimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-3-ol

Drug info:

PubChemData

Smile

C[C@@]1([C@@H]2C[C@@H](C2(C)C)CC1=N[C@@H](CC3=CC=CC=C3)C(=O)OC)O

DOS

IR

Vibrations