Geometry & MOs

Info

ID:	305550
PubChem CID:	124959407
Reduced:	FO2N5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	331.194757
ΔH_f, kcal/mol:	-77.09
Dipole, Da:	4.26
IP(EA), eV:	-8.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,5S,6S,8R,10R)-5-(2-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CCCC(=O)N(C)C[C@@]3(CCCN(C3)C4=NC=C(C=C4)F)O

DOS

IR

Vibrations