Geometry & MOs

Info

ID:	134535
PubChem CID:	51711799
Reduced:	ON2C24H36 (1)
Stoich.:	AB2C24D36 (1)
Weight, g/mol:	369.290589
ΔH_f, kcal/mol:	-59.28
Dipole, Da:	6.43
IP(EA), eV:	-8.92(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,2R,3R)-2,3-dimethylcyclohexyl]-[(2S)-3,4-dimethyl-5-oxo-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-2-yl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@@H]1C)N[C@@H]2C(=C(C(=O)N2[C@@H](C)CCC3=CC=CC=C3)C)C

DOS

IR

Vibrations