Geometry & MOs

Info

ID:	403230
PubChem CID:	135059294
Reduced:	OF3N6H15C20 (1)
Stoich.:	AB3C6D15E20 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	5.28
IP(EA), eV:	-8.83(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S)-5-amino-2,2-dimethylcyclohexyl]acetate

Drug info:

PubChemData

Smile

CNC1=C(C=NN(C1=O)C2=CC=CC=C2)N3C=C(N=N3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations