Geometry & MOs

Info

ID:	425185
PubChem CID:	135125458
Reduced:	NOC12H12 (2)
Stoich.:	ABC12D12 (2)
Weight, g/mol:	276.072177
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	3.55
IP(EA), eV:	-8.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyano-1-bicyclo[2.2.1]heptanyl)-(2,2,2-trifluoroacetyl)carbamic acid

Drug info:

PubChemData

Smile

C1CC2(CCN(CC2)C(=O)N)OC3=C1C=C(C=C3)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations