Geometry & MOs

Info

ID:	274723
PubChem CID:	103811261
Reduced:	ON2F3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-179.91
Dipole, Da:	6.11
IP(EA), eV:	-9.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(2-ethylcyclopropyl)bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CC1NC(=O)C2=C(C=CC(=C2)C(F)(F)F)N

DOS

IR

Vibrations