Geometry & MOs

Info

ID:	321204
PubChem CID:	126665221
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-17.21
Dipole, Da:	4.07
IP(EA), eV:	-8.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R,13S)-4-methoxy-N,1,10-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1NC(=O)N(C)[C@H]3[C@H]4CC5=C([C@@]3(CCN4C)C)C=C(C=C5)OC

DOS

IR

Vibrations