Geometry & MOs

Info

ID:	234006
PubChem CID:	92297522
Reduced:	OSN2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	357.230394
ΔH_f, kcal/mol:	11.69
Dipole, Da:	4.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.269223
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-[2-[(2R)-butan-2-yl]phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)C(=O)/C(=C(/NCC)\S)/[N+]2=CC=CC=C2

DOS

IR

Vibrations