Geometry & MOs

Info

ID:	302812
PubChem CID:	124396678
Reduced:	BrSO2N4C23H23 (1)
Stoich.:	ABC2D4E23F23 (1)
Weight, g/mol:	305.199094
ΔH_f, kcal/mol:	25.93
Dipole, Da:	2.55
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@H](C)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations