Geometry & MOs

Info

ID:	127753
PubChem CID:	51013731
Reduced:	NO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	450.153068
ΔH_f, kcal/mol:	-176.96
Dipole, Da:	4.16
IP(EA), eV:	-9.44(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,7R)-10,10-dimethyl-1,7-bis[3-(trifluoromethyl)phenyl]-8,9-diazatricyclo[5.2.1.02,6]deca-3,8-diene

Drug info:

PubChemData

Smile

CC(=O)C1CCC[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C

DOS

IR

Vibrations