Geometry & MOs

Info

ID:	15263
PubChem CID:	435318
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-44.02
Dipole, Da:	3.38
IP(EA), eV:	-8.55(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C2CC3=C(C1(CCN2C)C)C=C(C=C3)O

DOS

IR

Vibrations