Geometry & MOs

Info

ID:	128047
PubChem CID:	51028648
Reduced:	FO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	243.162314
ΔH_f, kcal/mol:	-54.76
Dipole, Da:	3.88
IP(EA), eV:	-9.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R)-N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@H]2CC(=O)NNC(=O)C3=CN=CN3C4=CC=C(C=C4)F

DOS

IR

Vibrations