Geometry & MOs

Info

ID:	135331
PubChem CID:	51852438
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	370.238219
ΔH_f, kcal/mol:	-99.93
Dipole, Da:	4.04
IP(EA), eV:	-8.51(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[(2R)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl-[(1S,2S)-2-methylcyclohexyl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NCC2=CC(=C(C=C2)OC[C@@H](C3=CC=CC=C3)O)OC

DOS

IR

Vibrations