Geometry & MOs

Info

ID:	127702
PubChem CID:	51012492
Reduced:	Cl2N2O2C19H24 (1)
Stoich.:	A2B2C2D19E24 (1)
Weight, g/mol:	247.139471
ΔH_f, kcal/mol:	-92.02
Dipole, Da:	5.23
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S,7S,8R)-N-(thiophen-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H]2CC[C@H]3N(CC[C@@H]2O3)C(=O)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations