Geometry & MOs

Info

ID:	375614
PubChem CID:	134214114
Reduced:	FN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-153.19
Dipole, Da:	6.92
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bicyclo[2.2.1]heptanyl)propyl 2-methyl-2-(methylamino)propanoate

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2[C@@H]1C(=O)N[C@@H]2CCOC3=NC=CC4=CC(=C(C=C43)OC)C(=O)N)F

DOS

IR

Vibrations