Geometry & MOs

Info

ID:	127497
PubChem CID:	51004217
Reduced:	N2O2F3C24H27 (1)
Stoich.:	A2B2C3D24E27 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-196.56
Dipole, Da:	4.45
IP(EA), eV:	-8.59(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(1R,2S,5R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)OC)C(C)N2C[C@@H]3C[C@@H]2CN3C(=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations