Geometry & MOs

Info

ID:	127608
PubChem CID:	51008361
Reduced:	O4C17H28 (1)
Stoich.:	A4B17C28 (1)
Weight, g/mol:	264.162649
ΔH_f, kcal/mol:	-219.32
Dipole, Da:	3.11
IP(EA), eV:	-10.55(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,13S)-15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,15-hexaen-3-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(C[C@H]1C([C@@H]2CCC(=O)OC)(C)C)C(=O)OC

DOS

IR

Vibrations