Geometry & MOs

Info

ID:	273831
PubChem CID:	103805280
Reduced:	FO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	260.132491
ΔH_f, kcal/mol:	-91.87
Dipole, Da:	9.95
IP(EA), eV:	-8.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)C(=O)NC2=C(C=CC(=C2)F)N

DOS

IR

Vibrations