Geometry & MOs

Info

ID:	238865
PubChem CID:	93165630
Reduced:	ClN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	312.08373
ΔH_f, kcal/mol:	-90.16
Dipole, Da:	4.43
IP(EA), eV:	-8.61(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-bromophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)[C@@H](CN)N2CCC[C@@H](C2)C)Cl)O

DOS

IR

Vibrations