Geometry & MOs

Info

ID:	305624
PubChem CID:	124962926
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	361.205322
ΔH_f, kcal/mol:	-56.97
Dipole, Da:	5.08
IP(EA), eV:	-8.8(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CC(=O)N2CCC[C@H](C2)CC3=C(C=NN3)C

DOS

IR

Vibrations