Geometry & MOs

Info

ID:	273810
PubChem CID:	103805163
Reduced:	NOF2C5H5 (2)
Stoich.:	ABC2D5E5 (2)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-254.87
Dipole, Da:	5.83
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N)NC(=O)C(C(F)F)(F)F

DOS

IR

Vibrations