Geometry & MOs

Info

ID:	29334
PubChem CID:	833065
Reduced:	ClNH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	312.204907
ΔH_f, kcal/mol:	58.67
Dipole, Da:	1.17
IP(EA), eV:	-9.07(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(dimethylamino)-3-[3-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)C(Cl)Cl

DOS

IR

Vibrations